REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n6g_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RDLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 67 G C 0.000 174.831 174.900 -0.115 0.000 0.946 67 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 68 P HA 0.422 nan 4.420 nan 0.000 0.268 68 P C -0.388 176.865 177.300 -0.077 0.000 1.204 68 P CA 0.194 63.154 63.100 -0.233 0.000 0.768 68 P CB 0.998 32.278 31.700 -0.701 0.000 0.842 69 K N 2.150 122.464 120.400 -0.143 0.000 3.100 69 K HA 0.280 4.605 4.320 0.008 0.000 0.256 69 K C -0.646 175.540 176.600 -0.690 0.000 1.146 69 K CA 0.052 56.111 56.287 -0.379 0.000 1.233 69 K CB -0.513 31.718 32.500 -0.448 0.000 1.226 69 K HN 0.372 nan 8.250 nan 0.000 0.442 70 F N -0.527 119.443 119.950 0.033 0.000 2.645 70 F HA 0.302 4.834 4.527 0.009 0.000 0.310 70 F C -2.320 173.583 175.800 0.173 0.000 1.102 70 F CA -2.992 55.052 58.000 0.072 0.000 0.952 70 F CB 1.258 40.300 39.000 0.070 0.000 1.326 70 F HN -0.135 nan 8.300 nan 0.000 0.456 71 P HA 0.029 nan 4.420 nan 0.000 0.260 71 P C -0.693 176.708 177.300 0.168 0.000 1.185 71 P CA 0.026 63.241 63.100 0.191 0.000 0.763 71 P CB 0.416 32.194 31.700 0.130 0.000 0.776 72 R N 3.027 123.557 120.500 0.050 0.000 2.390 72 R HA 0.389 4.733 4.340 0.008 0.000 0.291 72 R C -1.168 175.018 176.300 -0.191 0.000 1.070 72 R CA -0.366 55.532 56.100 -0.335 0.000 1.014 72 R CB 0.462 30.576 30.300 -0.309 0.000 1.007 72 R HN 0.219 nan 8.270 nan 0.000 0.466 73 V N 4.942 124.703 119.914 -0.254 0.000 2.483 73 V HA 0.350 4.474 4.120 0.008 0.000 0.297 73 V C -0.567 175.446 176.094 -0.135 0.000 1.027 73 V CA -0.759 61.477 62.300 -0.106 0.000 0.855 73 V CB 1.605 33.401 31.823 -0.045 0.000 0.995 73 V HN 0.763 nan 8.190 nan 0.000 0.424 74 K N 3.764 124.114 120.400 -0.084 0.000 2.316 74 K HA 0.452 4.777 4.320 0.008 0.000 0.251 74 K C -0.649 175.881 176.600 -0.116 0.000 0.934 74 K CA -0.688 55.475 56.287 -0.205 0.000 0.802 74 K CB 1.639 33.874 32.500 -0.441 0.000 1.171 74 K HN 0.704 nan 8.250 nan 0.000 0.426 75 N N 4.007 122.619 118.700 -0.146 0.000 2.426 75 N HA 0.093 4.837 4.740 0.008 0.000 0.257 75 N C -0.376 175.086 175.510 -0.079 0.000 1.002 75 N CA -0.283 52.770 53.050 0.006 0.000 0.942 75 N CB 0.512 39.026 38.487 0.046 0.000 1.112 75 N HN 0.690 nan 8.380 nan 0.000 0.499 76 W N 2.153 123.531 121.300 0.131 0.000 3.047 76 W HA 0.157 4.822 4.660 0.008 0.000 0.250 76 W C 2.056 178.626 176.519 0.085 0.000 1.314 76 W CA -0.206 57.208 57.345 0.115 0.000 1.540 76 W CB 0.375 29.924 29.460 0.148 0.000 1.127 76 W HN 0.665 nan 8.180 nan 0.000 0.679 77 E N 0.400 120.739 120.200 0.231 0.000 2.060 77 E HA -0.103 4.252 4.350 0.008 0.000 0.189 77 E C 1.633 178.254 176.600 0.036 0.000 0.974 77 E CA 1.014 57.446 56.400 0.053 0.000 0.808 77 E CB -0.162 29.526 29.700 -0.021 0.000 0.768 77 E HN 0.250 nan 8.360 nan 0.000 0.453 78 L N -0.880 120.360 121.223 0.028 0.000 2.664 78 L HA 0.327 4.672 4.340 0.008 0.000 0.233 78 L C 1.309 178.153 176.870 -0.042 0.000 1.113 78 L CA 0.336 55.175 54.840 -0.003 0.000 0.896 78 L CB 0.852 42.915 42.059 0.007 0.000 1.163 78 L HN 0.387 nan 8.230 nan 0.000 0.497 79 G N 0.769 109.514 108.800 -0.091 0.000 2.155 79 G HA2 -0.321 3.644 3.960 0.008 0.000 0.257 79 G HA3 -0.321 3.644 3.960 0.008 0.000 0.257 79 G C 0.372 175.167 174.900 -0.176 0.000 0.983 79 G CA 0.544 45.541 45.100 -0.171 0.000 0.676 79 G HN 0.478 nan 8.290 nan 0.000 0.528 80 S N -0.420 115.197 115.700 -0.137 0.000 2.616 80 S HA 0.833 5.308 4.470 0.008 0.000 0.277 80 S C -0.065 174.445 174.600 -0.149 0.000 1.234 80 S CA -0.874 57.259 58.200 -0.112 0.000 1.028 80 S CB 2.288 65.450 63.200 -0.063 0.000 0.988 80 S HN 0.445 nan 8.310 nan 0.000 0.522 81 I N 2.140 122.630 120.570 -0.133 0.000 2.582 81 I HA 0.561 4.736 4.170 0.008 0.000 0.292 81 I C 0.072 176.093 176.117 -0.160 0.000 1.066 81 I CA -0.081 61.109 61.300 -0.183 0.000 1.053 81 I CB 1.912 39.802 38.000 -0.184 0.000 1.241 81 I HN 1.111 nan 8.210 nan 0.000 0.421 82 T N 2.288 116.702 114.554 -0.233 0.000 2.864 82 T HA 0.695 5.050 4.350 0.008 0.000 0.299 82 T C -1.345 173.145 174.700 -0.349 0.000 1.166 82 T CA -0.672 61.327 62.100 -0.167 0.000 1.007 82 T CB 1.919 70.747 68.868 -0.067 0.000 1.219 82 T HN 0.227 nan 8.240 nan 0.000 0.506 83 Y N 0.414 120.705 120.300 -0.014 0.000 2.364 83 Y HA 0.499 5.054 4.550 0.008 0.000 0.340 83 Y C 0.077 175.952 175.900 -0.041 0.000 0.975 83 Y CA -0.953 57.149 58.100 0.003 0.000 1.089 83 Y CB 1.624 40.097 38.460 0.022 0.000 1.192 83 Y HN 0.716 nan 8.280 nan 0.000 0.454 84 D N 2.009 122.484 120.400 0.124 0.000 2.380 84 D HA 0.075 4.720 4.640 0.008 0.000 0.230 84 D C 0.733 177.008 176.300 -0.042 0.000 1.154 84 D CA 0.035 54.060 54.000 0.042 0.000 0.859 84 D CB 1.260 42.112 40.800 0.087 0.000 1.045 84 D HN 0.795 nan 8.370 nan 0.000 0.495 85 T N 1.232 115.640 114.554 -0.243 0.000 3.037 85 T HA -0.069 4.286 4.350 0.008 0.000 0.252 85 T C 1.889 176.450 174.700 -0.232 0.000 1.073 85 T CA -0.172 61.614 62.100 -0.524 0.000 1.091 85 T CB 0.031 68.423 68.868 -0.792 0.000 0.935 85 T HN 0.264 nan 8.240 nan 0.000 0.488 86 L N 2.480 123.617 121.223 -0.145 0.000 2.191 86 L HA 0.017 4.362 4.340 0.008 0.000 0.212 86 L C 2.615 179.368 176.870 -0.195 0.000 1.103 86 L CA 1.228 56.021 54.840 -0.078 0.000 0.769 86 L CB -0.974 41.115 42.059 0.050 0.000 0.908 86 L HN 0.678 nan 8.230 nan 0.000 0.438 87 C N -1.721 117.279 119.300 -0.499 0.000 2.422 87 C HA 0.078 4.543 4.460 0.008 0.000 0.286 87 C C 2.757 177.539 174.990 -0.347 0.000 1.412 87 C CA 0.133 58.563 59.018 -0.980 0.000 1.786 87 C CB -2.242 24.884 27.740 -1.023 0.000 1.835 87 C HN 0.575 nan 8.230 nan 0.000 0.533 88 A N 0.028 122.781 122.820 -0.113 0.000 2.121 88 A HA -0.072 4.253 4.320 0.008 0.000 0.218 88 A C 2.286 179.871 177.584 0.001 0.000 1.154 88 A CA 1.226 53.269 52.037 0.010 0.000 0.679 88 A CB -0.448 18.639 19.000 0.145 0.000 0.795 88 A HN 0.702 nan 8.150 nan 0.000 0.458 89 Q N 0.001 119.793 119.800 -0.013 0.000 2.451 89 Q HA 0.065 4.410 4.340 0.008 0.000 0.206 89 Q C 0.584 176.616 176.000 0.054 0.000 0.947 89 Q CA 0.184 56.005 55.803 0.031 0.000 0.937 89 Q CB -0.207 28.558 28.738 0.045 0.000 1.025 89 Q HN 0.484 nan 8.270 nan 0.000 0.511 90 S N 1.320 117.047 115.700 0.044 0.000 2.498 90 S HA 0.005 4.480 4.470 0.008 0.000 0.281 90 S C 0.938 175.576 174.600 0.063 0.000 1.265 90 S CA 0.008 58.260 58.200 0.087 0.000 1.071 90 S CB 0.373 63.629 63.200 0.094 0.000 0.894 90 S HN 0.156 nan 8.310 nan 0.000 0.491 91 Q N 2.783 122.624 119.800 0.069 0.000 2.282 91 Q HA 0.214 4.559 4.340 0.008 0.000 0.206 91 Q C 0.013 176.042 176.000 0.049 0.000 0.878 91 Q CA 0.182 56.018 55.803 0.054 0.000 0.944 91 Q CB 0.595 29.367 28.738 0.057 0.000 1.100 91 Q HN 0.732 nan 8.270 nan 0.000 0.509 92 Q N 0.724 120.558 119.800 0.057 0.000 2.331 92 Q HA 0.215 4.560 4.340 0.008 0.000 0.272 92 Q C -1.558 174.475 176.000 0.054 0.000 1.062 92 Q CA -0.514 55.318 55.803 0.049 0.000 0.806 92 Q CB 1.698 30.464 28.738 0.046 0.000 1.312 92 Q HN -0.079 nan 8.270 nan 0.000 0.431 93 D N 2.022 122.447 120.400 0.042 0.000 2.304 93 D HA 0.323 4.968 4.640 0.008 0.000 0.250 93 D C 0.206 176.530 176.300 0.041 0.000 1.107 93 D CA 0.232 54.257 54.000 0.041 0.000 0.885 93 D CB 1.447 42.265 40.800 0.030 0.000 1.192 93 D HN 0.656 nan 8.370 nan 0.000 0.436 94 G N 1.248 110.076 108.800 0.047 0.000 2.510 94 G HA2 0.329 4.294 3.960 0.008 0.000 0.280 94 G HA3 0.329 4.294 3.960 0.008 0.000 0.280 94 G C -1.414 173.504 174.900 0.030 0.000 1.386 94 G CA -0.614 44.509 45.100 0.039 0.000 1.047 94 G HN 0.357 nan 8.290 nan 0.000 0.527 95 P HA 0.171 nan 4.420 nan 0.000 0.245 95 P C 0.288 177.601 177.300 0.021 0.000 1.203 95 P CA -0.070 63.042 63.100 0.020 0.000 0.792 95 P CB 0.112 31.822 31.700 0.017 0.000 0.997 96 C N 0.773 120.089 119.300 0.027 0.000 2.520 96 C HA 0.614 5.079 4.460 0.008 0.000 0.376 96 C C 1.055 176.057 174.990 0.021 0.000 1.268 96 C CA 0.134 59.167 59.018 0.025 0.000 2.414 96 C CB 0.831 28.589 27.740 0.031 0.000 2.521 96 C HN 0.389 nan 8.230 nan 0.000 0.618 97 T N -1.617 112.946 114.554 0.016 0.000 2.841 97 T HA 0.446 4.801 4.350 0.008 0.000 0.296 97 T C -2.374 172.332 174.700 0.010 0.000 1.166 97 T CA -1.042 61.065 62.100 0.012 0.000 1.007 97 T CB 1.164 70.038 68.868 0.009 0.000 1.253 97 T HN 0.285 nan 8.240 nan 0.000 0.511 98 P HA 0.022 nan 4.420 nan 0.000 0.218 98 P C 1.523 178.825 177.300 0.003 0.000 1.148 98 P CA 0.873 63.975 63.100 0.004 0.000 0.822 98 P CB 0.113 31.814 31.700 0.002 0.000 0.784 99 R N -0.648 119.854 120.500 0.003 0.000 2.075 99 R HA -0.023 4.322 4.340 0.008 0.000 0.232 99 R C 0.958 177.258 176.300 0.002 0.000 1.126 99 R CA 0.971 57.072 56.100 0.002 0.000 0.963 99 R CB 0.000 30.302 30.300 0.002 0.000 0.858 99 R HN 0.220 nan 8.270 nan 0.000 0.435 100 R N -0.245 120.257 120.500 0.004 0.000 2.604 100 R HA 0.152 4.497 4.340 0.008 0.000 0.270 100 R C -1.559 174.746 176.300 0.007 0.000 1.052 100 R CA -0.680 55.422 56.100 0.003 0.000 0.902 100 R CB 0.424 30.726 30.300 0.003 0.000 1.233 100 R HN 0.044 nan 8.270 nan 0.000 0.455 101 C N 3.865 123.168 119.300 0.005 0.000 2.415 101 C HA 0.498 4.963 4.460 0.008 0.000 0.369 101 C C 0.376 175.375 174.990 0.015 0.000 1.279 101 C CA -0.501 58.523 59.018 0.010 0.000 1.886 101 C CB -0.671 27.071 27.740 0.003 0.000 2.468 101 C HN 0.688 nan 8.230 nan 0.000 0.553 102 L N 6.068 127.304 121.223 0.022 0.000 3.110 102 L HA 0.350 4.695 4.340 0.008 0.000 0.266 102 L C 1.949 178.841 176.870 0.037 0.000 1.257 102 L CA 0.699 55.554 54.840 0.025 0.000 1.038 102 L CB -0.067 42.004 42.059 0.020 0.000 1.395 102 L HN 1.022 nan 8.230 nan 0.000 0.566 103 G N -0.798 108.028 108.800 0.044 0.000 2.509 103 G HA2 -0.221 3.744 3.960 0.008 0.000 0.218 103 G HA3 -0.221 3.744 3.960 0.008 0.000 0.218 103 G C 1.472 176.429 174.900 0.095 0.000 1.124 103 G CA 1.053 46.191 45.100 0.063 0.000 0.776 103 G HN 0.505 nan 8.290 nan 0.000 0.547 104 S N -0.251 115.503 115.700 0.090 0.000 2.593 104 S HA 0.307 4.782 4.470 0.008 0.000 0.217 104 S C 0.900 175.574 174.600 0.124 0.000 0.966 104 S CA -0.516 57.758 58.200 0.123 0.000 0.914 104 S CB -0.130 63.126 63.200 0.092 0.000 0.776 104 S HN 0.109 nan 8.310 nan 0.000 0.523 105 L N 2.399 123.673 121.223 0.086 0.000 2.410 105 L HA 0.192 4.537 4.340 0.008 0.000 0.273 105 L C 1.500 178.422 176.870 0.087 0.000 1.144 105 L CA -0.346 54.535 54.840 0.068 0.000 0.863 105 L CB 0.941 43.020 42.059 0.032 0.000 1.140 105 L HN 0.084 nan 8.230 nan 0.000 0.463 106 V N 4.707 124.682 119.914 0.102 0.000 2.307 106 V HA -0.174 3.951 4.120 0.008 0.000 0.245 106 V C 1.014 177.093 176.094 -0.025 0.000 1.045 106 V CA 1.286 63.665 62.300 0.130 0.000 1.024 106 V CB -0.211 31.702 31.823 0.151 0.000 0.651 106 V HN 0.523 nan 8.190 nan 0.000 0.449 107 L N 1.780 122.962 121.223 -0.069 0.000 2.283 107 L HA 0.392 4.737 4.340 0.008 0.000 0.281 107 L C -2.454 174.383 176.870 -0.055 0.000 1.033 107 L CA -1.639 53.127 54.840 -0.124 0.000 0.848 107 L CB 0.907 42.858 42.059 -0.179 0.000 1.226 107 L HN 0.148 nan 8.230 nan 0.000 0.429 108 P HA 0.099 nan 4.420 nan 0.000 0.267 108 P C -0.012 177.285 177.300 -0.005 0.000 1.209 108 P CA -0.378 62.714 63.100 -0.014 0.000 0.763 108 P CB 0.535 32.228 31.700 -0.011 0.000 0.816 122 A N -0.281 122.546 122.820 0.011 0.000 1.872 122 A HA -0.101 4.224 4.320 0.008 0.000 0.214 122 A C 1.742 179.333 177.584 0.012 0.000 1.187 122 A CA 2.368 54.413 52.037 0.014 0.000 0.614 122 A CB -0.906 18.101 19.000 0.011 0.000 0.826 122 A HN 0.648 nan 8.150 nan 0.000 0.442 123 E N -0.582 119.623 120.200 0.009 0.000 2.070 123 E HA -0.321 4.034 4.350 0.008 0.000 0.197 123 E C 2.203 178.811 176.600 0.013 0.000 1.004 123 E CA 1.759 58.164 56.400 0.008 0.000 0.805 123 E CB -0.197 29.507 29.700 0.007 0.000 0.744 123 E HN 0.741 nan 8.360 nan 0.000 0.451 124 Q N 1.087 120.897 119.800 0.016 0.000 2.049 124 Q HA -0.101 4.244 4.340 0.008 0.000 0.198 124 Q C 2.081 178.099 176.000 0.031 0.000 0.971 124 Q CA 1.135 56.950 55.803 0.021 0.000 0.833 124 Q CB -0.290 28.458 28.738 0.017 0.000 0.896 124 Q HN 0.389 nan 8.270 nan 0.000 0.434 125 L N -0.500 120.744 121.223 0.035 0.000 2.017 125 L HA -0.159 4.186 4.340 0.008 0.000 0.208 125 L C 2.023 178.930 176.870 0.062 0.000 1.073 125 L CA 1.080 55.956 54.840 0.060 0.000 0.745 125 L CB -0.375 41.725 42.059 0.069 0.000 0.894 125 L HN 0.380 nan 8.230 nan 0.000 0.432 126 L N -0.196 121.043 121.223 0.027 0.000 2.012 126 L HA -0.229 4.116 4.340 0.008 0.000 0.210 126 L C 2.975 179.848 176.870 0.004 0.000 1.073 126 L CA 2.232 57.067 54.840 -0.009 0.000 0.748 126 L CB -0.910 41.139 42.059 -0.018 0.000 0.891 126 L HN 0.594 nan 8.230 nan 0.000 0.431 127 S N -1.802 113.911 115.700 0.021 0.000 2.382 127 S HA -0.259 4.215 4.470 0.008 0.000 0.228 127 S C 1.927 176.563 174.600 0.061 0.000 1.027 127 S CA 1.315 59.535 58.200 0.032 0.000 0.991 127 S CB -0.493 62.724 63.200 0.029 0.000 0.823 127 S HN 0.598 nan 8.310 nan 0.000 0.469 128 Q N 0.706 120.551 119.800 0.074 0.000 2.079 128 Q HA 0.093 4.438 4.340 0.008 0.000 0.200 128 Q C 2.609 178.711 176.000 0.171 0.000 0.974 128 Q CA 1.305 57.175 55.803 0.111 0.000 0.840 128 Q CB -0.481 28.315 28.738 0.096 0.000 0.898 128 Q HN 0.788 nan 8.270 nan 0.000 0.430 129 A N 1.099 124.005 122.820 0.145 0.000 1.877 129 A HA -0.192 4.133 4.320 0.008 0.000 0.216 129 A C 1.962 179.625 177.584 0.133 0.000 1.186 129 A CA 1.245 53.370 52.037 0.146 0.000 0.620 129 A CB -0.402 18.501 19.000 -0.162 0.000 0.822 129 A HN 0.214 nan 8.150 nan 0.000 0.443 130 R N -0.660 119.876 120.500 0.060 0.000 2.105 130 R HA -0.179 4.166 4.340 0.008 0.000 0.239 130 R C 1.978 178.351 176.300 0.121 0.000 1.135 130 R CA 1.718 57.854 56.100 0.061 0.000 0.967 130 R CB -0.437 29.877 30.300 0.023 0.000 0.861 130 R HN 0.745 nan 8.270 nan 0.000 0.442 131 D N 0.001 120.486 120.400 0.142 0.000 2.117 131 D HA -0.181 4.464 4.640 0.008 0.000 0.198 131 D C 1.677 178.106 176.300 0.214 0.000 0.982 131 D CA 0.789 54.882 54.000 0.156 0.000 0.828 131 D CB -0.051 40.834 40.800 0.142 0.000 0.967 131 D HN 0.137 nan 8.370 nan 0.000 0.464 132 F N 0.889 120.934 119.950 0.158 0.000 2.146 132 F HA -0.070 4.461 4.527 0.007 0.000 0.298 132 F C 1.867 177.825 175.800 0.264 0.000 1.096 132 F CA 1.004 59.135 58.000 0.220 0.000 1.275 132 F CB -0.209 38.925 39.000 0.222 0.000 1.008 132 F HN -0.027 nan 8.300 nan 0.000 0.480 133 I N 1.159 121.736 120.570 0.012 0.000 2.208 133 I HA -0.318 3.857 4.170 0.008 0.000 0.245 133 I C 1.955 178.131 176.117 0.098 0.000 1.097 133 I CA 1.239 62.555 61.300 0.027 0.000 1.363 133 I CB -1.699 36.432 38.000 0.219 0.000 1.051 133 I HN 0.246 nan 8.210 nan 0.000 0.413 134 N N 1.060 119.842 118.700 0.137 0.000 2.120 134 N HA -0.197 4.548 4.740 0.008 0.000 0.188 134 N C 1.816 177.281 175.510 -0.075 0.000 1.024 134 N CA 1.130 54.231 53.050 0.085 0.000 0.852 134 N CB -0.421 38.154 38.487 0.147 0.000 1.003 134 N HN 0.520 nan 8.380 nan 0.000 0.424 135 Q N -0.710 119.060 119.800 -0.049 0.000 2.124 135 Q HA -0.177 4.168 4.340 0.008 0.000 0.202 135 Q C 1.679 177.473 176.000 -0.343 0.000 0.977 135 Q CA 1.179 56.962 55.803 -0.034 0.000 0.850 135 Q CB -0.231 28.632 28.738 0.208 0.000 0.901 135 Q HN 0.484 nan 8.270 nan 0.000 0.429 136 Y N -0.077 119.796 120.300 -0.711 0.000 2.153 136 Y HA -0.247 4.307 4.550 0.007 0.000 0.289 136 Y C 1.675 177.051 175.900 -0.873 0.000 1.127 136 Y CA 1.409 58.814 58.100 -1.159 0.000 1.131 136 Y CB -0.396 37.449 38.460 -1.026 0.000 0.995 136 Y HN 0.031 nan 8.280 nan 0.000 0.505 137 Y N -0.510 119.404 120.300 -0.644 0.000 2.293 137 Y HA -0.192 4.364 4.550 0.009 0.000 0.291 137 Y C 2.858 178.421 175.900 -0.563 0.000 1.137 137 Y CA 1.653 59.343 58.100 -0.683 0.000 1.202 137 Y CB -0.633 37.300 38.460 -0.879 0.000 0.990 137 Y HN 0.077 nan 8.280 nan 0.000 0.537 138 S N -0.570 114.919 115.700 -0.352 0.000 2.370 138 S HA -0.220 4.255 4.470 0.008 0.000 0.226 138 S C 2.273 176.705 174.600 -0.280 0.000 1.033 138 S CA 1.589 59.644 58.200 -0.242 0.000 1.011 138 S CB -0.547 62.564 63.200 -0.149 0.000 0.852 138 S HN 0.649 nan 8.310 nan 0.000 0.457 139 S N 1.757 117.198 115.700 -0.432 0.000 2.453 139 S HA 0.012 4.487 4.470 0.008 0.000 0.231 139 S C 1.535 175.905 174.600 -0.383 0.000 1.005 139 S CA 0.787 58.769 58.200 -0.364 0.000 0.949 139 S CB -0.692 62.222 63.200 -0.476 0.000 0.774 139 S HN 0.719 nan 8.310 nan 0.000 0.510 140 I N -3.060 117.182 120.570 -0.547 0.000 3.904 140 I HA 0.429 4.604 4.170 0.008 0.000 0.333 140 I C -0.264 175.696 176.117 -0.262 0.000 1.361 140 I CA -0.540 60.506 61.300 -0.423 0.000 1.116 140 I CB -0.040 37.611 38.000 -0.581 0.000 1.028 140 I HN -0.142 nan 8.210 nan 0.000 0.398 141 K N 1.780 122.047 120.400 -0.223 0.000 3.071 141 K HA -0.153 4.172 4.320 0.008 0.000 0.265 141 K C 0.017 176.561 176.600 -0.093 0.000 1.060 141 K CA 0.512 56.719 56.287 -0.133 0.000 0.767 141 K CB -1.690 30.752 32.500 -0.095 0.000 1.241 141 K HN 0.542 nan 8.250 nan 0.000 0.486 142 R N -0.257 120.189 120.500 -0.089 0.000 2.700 142 R HA 0.097 4.442 4.340 0.008 0.000 0.399 142 R C 0.161 176.469 176.300 0.015 0.000 1.115 142 R CA -0.201 55.905 56.100 0.010 0.000 1.058 142 R CB 0.835 31.204 30.300 0.116 0.000 1.389 142 R HN 0.189 nan 8.270 nan 0.000 0.582 143 S N -0.300 115.370 115.700 -0.050 0.000 2.488 143 S HA 0.350 4.825 4.470 0.008 0.000 0.278 143 S C 1.295 175.957 174.600 0.104 0.000 1.259 143 S CA 1.179 59.355 58.200 -0.041 0.000 1.061 143 S CB 0.473 63.636 63.200 -0.063 0.000 0.910 143 S HN 0.718 nan 8.310 nan 0.000 0.491 144 G N 3.311 112.298 108.800 0.312 0.000 2.213 144 G HA2 -0.276 3.689 3.960 0.008 0.000 0.236 144 G HA3 -0.276 3.689 3.960 0.008 0.000 0.236 144 G C 0.332 175.257 174.900 0.042 0.000 0.991 144 G CA 0.312 45.485 45.100 0.122 0.000 0.629 144 G HN 1.650 nan 8.290 nan 0.000 0.517 145 S N 0.055 115.789 115.700 0.056 0.000 2.608 145 S HA 0.410 4.885 4.470 0.008 0.000 0.261 145 S C 1.576 176.150 174.600 -0.042 0.000 1.314 145 S CA 0.773 58.977 58.200 0.006 0.000 0.992 145 S CB 1.247 64.462 63.200 0.024 0.000 0.935 145 S HN 1.117 nan 8.310 nan 0.000 0.564 146 Q N 0.702 120.480 119.800 -0.038 0.000 2.230 146 Q HA 0.001 4.346 4.340 0.008 0.000 0.202 146 Q C 1.970 177.929 176.000 -0.069 0.000 0.963 146 Q CA 1.257 57.027 55.803 -0.055 0.000 0.866 146 Q CB -0.673 28.045 28.738 -0.032 0.000 0.931 146 Q HN 0.842 nan 8.270 nan 0.000 0.452 147 A N 1.099 123.893 122.820 -0.043 0.000 1.930 147 A HA -0.230 4.095 4.320 0.008 0.000 0.217 147 A C 2.012 179.436 177.584 -0.267 0.000 1.175 147 A CA 1.520 53.541 52.037 -0.027 0.000 0.627 147 A CB -1.137 17.938 19.000 0.125 0.000 0.815 147 A HN 0.720 nan 8.150 nan 0.000 0.443 148 H N -0.588 118.072 119.070 -0.683 0.000 2.321 148 H HA -0.112 4.449 4.556 0.009 0.000 0.300 148 H C 1.816 176.828 175.328 -0.527 0.000 1.087 148 H CA 1.346 56.717 56.048 -1.128 0.000 1.319 148 H CB 0.154 29.457 29.762 -0.764 0.000 1.379 148 H HN 0.448 nan 8.280 nan 0.000 0.501 149 E N 0.600 120.583 120.200 -0.361 0.000 2.150 149 E HA -0.135 4.220 4.350 0.008 0.000 0.193 149 E C 2.053 178.541 176.600 -0.187 0.000 0.985 149 E CA 0.733 56.950 56.400 -0.304 0.000 0.814 149 E CB -0.051 29.520 29.700 -0.214 0.000 0.752 149 E HN 0.682 nan 8.360 nan 0.000 0.466 150 E N 0.523 120.640 120.200 -0.138 0.000 2.107 150 E HA -0.147 4.208 4.350 0.008 0.000 0.191 150 E C 2.145 178.719 176.600 -0.043 0.000 0.982 150 E CA 0.610 56.968 56.400 -0.070 0.000 0.809 150 E CB 0.025 29.705 29.700 -0.033 0.000 0.756 150 E HN -0.084 nan 8.360 nan 0.000 0.459 151 R N 1.148 121.619 120.500 -0.047 0.000 2.081 151 R HA -0.088 4.257 4.340 0.008 0.000 0.235 151 R C 2.038 178.339 176.300 0.001 0.000 1.131 151 R CA 1.157 57.280 56.100 0.038 0.000 0.960 151 R CB -0.558 29.847 30.300 0.176 0.000 0.856 151 R HN 0.149 nan 8.270 nan 0.000 0.436 152 L N 0.149 121.330 121.223 -0.070 0.000 2.012 152 L HA -0.238 4.107 4.340 0.008 0.000 0.210 152 L C 2.566 179.388 176.870 -0.081 0.000 1.073 152 L CA 1.801 56.587 54.840 -0.090 0.000 0.748 152 L CB -0.465 41.491 42.059 -0.171 0.000 0.891 152 L HN 0.356 nan 8.230 nan 0.000 0.431 153 Q N -0.610 119.145 119.800 -0.075 0.000 2.119 153 Q HA -0.260 4.085 4.340 0.008 0.000 0.201 153 Q C 2.107 178.089 176.000 -0.030 0.000 0.972 153 Q CA 1.557 57.328 55.803 -0.053 0.000 0.847 153 Q CB -0.050 28.659 28.738 -0.049 0.000 0.903 153 Q HN 0.495 nan 8.270 nan 0.000 0.433 154 E N 0.106 120.298 120.200 -0.013 0.000 2.072 154 E HA -0.152 4.203 4.350 0.008 0.000 0.191 154 E C 1.967 178.573 176.600 0.010 0.000 0.985 154 E CA 0.861 57.271 56.400 0.017 0.000 0.801 154 E CB 0.226 29.952 29.700 0.045 0.000 0.750 154 E HN 0.098 nan 8.360 nan 0.000 0.452 155 V N 2.524 122.416 119.914 -0.036 0.000 2.295 155 V HA -0.277 3.848 4.120 0.008 0.000 0.246 155 V C 2.383 178.390 176.094 -0.146 0.000 1.049 155 V CA 2.310 64.520 62.300 -0.150 0.000 1.024 155 V CB -0.681 30.958 31.823 -0.307 0.000 0.648 155 V HN 0.467 nan 8.190 nan 0.000 0.447 156 E N 1.170 121.307 120.200 -0.104 0.000 2.106 156 E HA -0.188 4.167 4.350 0.008 0.000 0.192 156 E C 2.165 178.750 176.600 -0.025 0.000 0.984 156 E CA 1.510 57.869 56.400 -0.067 0.000 0.806 156 E CB -0.426 29.240 29.700 -0.058 0.000 0.750 156 E HN 0.532 nan 8.360 nan 0.000 0.458 157 A N 1.746 124.559 122.820 -0.011 0.000 1.930 157 A HA -0.179 4.146 4.320 0.008 0.000 0.217 157 A C 2.087 179.690 177.584 0.032 0.000 1.175 157 A CA 1.325 53.368 52.037 0.010 0.000 0.627 157 A CB -0.388 18.620 19.000 0.013 0.000 0.815 157 A HN 0.250 nan 8.150 nan 0.000 0.443 158 E N -0.305 119.925 120.200 0.050 0.000 2.051 158 E HA -0.124 4.231 4.350 0.008 0.000 0.192 158 E C 1.967 178.618 176.600 0.085 0.000 0.991 158 E CA 1.431 57.887 56.400 0.093 0.000 0.799 158 E CB -0.118 29.678 29.700 0.161 0.000 0.748 158 E HN 0.398 nan 8.360 nan 0.000 0.449 159 V N 1.090 121.042 119.914 0.063 0.000 2.515 159 V HA -0.222 3.903 4.120 0.008 0.000 0.250 159 V C 2.306 178.421 176.094 0.035 0.000 1.058 159 V CA 1.533 63.867 62.300 0.056 0.000 1.064 159 V CB -0.613 31.229 31.823 0.032 0.000 0.675 159 V HN 0.288 nan 8.190 nan 0.000 0.461 160 A N 0.889 123.723 122.820 0.024 0.000 1.902 160 A HA -0.197 4.128 4.320 0.008 0.000 0.217 160 A C 2.465 180.063 177.584 0.025 0.000 1.181 160 A CA 2.419 54.467 52.037 0.018 0.000 0.623 160 A CB -0.509 18.498 19.000 0.011 0.000 0.818 160 A HN 0.679 nan 8.150 nan 0.000 0.443 161 S N -1.855 113.865 115.700 0.034 0.000 2.483 161 S HA -0.018 4.456 4.470 0.008 0.000 0.221 161 S C 1.581 176.205 174.600 0.040 0.000 1.030 161 S CA 1.197 59.418 58.200 0.035 0.000 0.925 161 S CB -0.397 62.825 63.200 0.037 0.000 0.795 161 S HN 0.757 nan 8.310 nan 0.000 0.511 162 T N -3.402 111.181 114.554 0.049 0.000 2.975 162 T HA 0.550 4.905 4.350 0.008 0.000 0.257 162 T C 1.631 176.354 174.700 0.037 0.000 1.003 162 T CA 0.758 62.888 62.100 0.051 0.000 0.932 162 T CB 0.215 69.128 68.868 0.075 0.000 1.087 162 T HN 1.049 nan 8.240 nan 0.000 0.512 163 G N 0.371 109.193 108.800 0.036 0.000 2.225 163 G HA2 -0.229 3.736 3.960 0.008 0.000 0.254 163 G HA3 -0.229 3.736 3.960 0.008 0.000 0.254 163 G C 0.221 175.138 174.900 0.029 0.000 0.988 163 G CA 0.531 45.647 45.100 0.027 0.000 0.625 163 G HN 0.939 nan 8.290 nan 0.000 0.527 164 T N -1.174 113.397 114.554 0.028 0.000 2.716 164 T HA 0.740 5.095 4.350 0.008 0.000 0.286 164 T C -0.959 173.783 174.700 0.070 0.000 1.052 164 T CA 0.355 62.454 62.100 -0.002 0.000 1.024 164 T CB 1.554 70.332 68.868 -0.149 0.000 1.349 164 T HN 1.365 nan 8.240 nan 0.000 0.525 165 Y N -1.000 119.159 120.300 -0.235 0.000 2.840 165 Y HA 0.769 5.324 4.550 0.008 0.000 0.324 165 Y C -1.228 174.408 175.900 -0.439 0.000 1.378 165 Y CA -1.183 56.795 58.100 -0.203 0.000 1.077 165 Y CB 0.925 39.364 38.460 -0.035 0.000 1.361 165 Y HN 0.649 nan 8.280 nan 0.000 0.459 166 H N 0.953 120.008 119.070 -0.025 0.000 2.768 166 H HA 0.533 5.094 4.556 0.008 0.000 0.371 166 H C -1.136 174.225 175.328 0.055 0.000 1.151 166 H CA -0.849 55.143 56.048 -0.092 0.000 1.165 166 H CB 2.594 32.357 29.762 0.003 0.000 1.722 166 H HN 0.607 nan 8.280 nan 0.000 0.543 167 L N 2.040 123.349 121.223 0.144 0.000 2.395 167 L HA 0.343 4.688 4.340 0.008 0.000 0.269 167 L C 1.078 178.025 176.870 0.128 0.000 1.133 167 L CA -0.564 54.380 54.840 0.173 0.000 0.812 167 L CB 0.645 42.781 42.059 0.129 0.000 1.125 167 L HN 0.342 nan 8.230 nan 0.000 0.452 168 R N 1.234 121.787 120.500 0.089 0.000 2.679 168 R HA -0.000 4.345 4.340 0.008 0.000 0.269 168 R C 1.184 177.483 176.300 -0.002 0.000 1.076 168 R CA -0.347 55.772 56.100 0.031 0.000 1.160 168 R CB 0.704 30.998 30.300 -0.009 0.000 1.054 168 R HN 0.696 nan 8.270 nan 0.000 0.507 169 E N 1.300 121.497 120.200 -0.005 0.000 2.065 169 E HA -0.275 4.080 4.350 0.008 0.000 0.201 169 E C 1.447 178.038 176.600 -0.015 0.000 1.016 169 E CA 2.427 58.817 56.400 -0.017 0.000 0.818 169 E CB 0.033 29.726 29.700 -0.011 0.000 0.749 169 E HN 0.677 nan 8.360 nan 0.000 0.453 170 S N -0.164 115.528 115.700 -0.013 0.000 2.428 170 S HA -0.110 4.365 4.470 0.008 0.000 0.230 170 S C 1.749 176.362 174.600 0.021 0.000 1.014 170 S CA 1.027 59.247 58.200 0.033 0.000 0.957 170 S CB -0.178 63.071 63.200 0.082 0.000 0.784 170 S HN 0.335 nan 8.310 nan 0.000 0.499 171 E N 0.802 120.892 120.200 -0.184 0.000 2.106 171 E HA -0.055 4.300 4.350 0.008 0.000 0.192 171 E C 1.975 178.712 176.600 0.228 0.000 0.984 171 E CA 1.090 57.400 56.400 -0.149 0.000 0.806 171 E CB -0.290 29.298 29.700 -0.186 0.000 0.750 171 E HN 0.445 nan 8.360 nan 0.000 0.458 172 L N 0.674 121.937 121.223 0.067 0.000 2.027 172 L HA -0.144 4.201 4.340 0.008 0.000 0.206 172 L C 2.203 179.070 176.870 -0.005 0.000 1.074 172 L CA 1.318 56.138 54.840 -0.034 0.000 0.745 172 L CB -0.334 41.641 42.059 -0.140 0.000 0.898 172 L HN -0.068 nan 8.230 nan 0.000 0.433 173 V N -0.241 119.697 119.914 0.040 0.000 2.282 173 V HA -0.341 3.784 4.120 0.008 0.000 0.249 173 V C 2.358 178.553 176.094 0.168 0.000 1.057 173 V CA 2.334 64.671 62.300 0.063 0.000 1.032 173 V CB -0.983 30.878 31.823 0.064 0.000 0.645 173 V HN 0.594 nan 8.190 nan 0.000 0.447 174 F N 1.893 121.933 119.950 0.149 0.000 2.102 174 F HA -0.016 4.515 4.527 0.007 0.000 0.298 174 F C 2.174 178.122 175.800 0.248 0.000 1.105 174 F CA 1.724 59.868 58.000 0.241 0.000 1.239 174 F CB -0.946 38.272 39.000 0.363 0.000 0.991 174 F HN 0.116 nan 8.300 nan 0.000 0.474 175 G N -0.017 108.851 108.800 0.113 0.000 2.421 175 G HA2 -0.250 3.715 3.960 0.008 0.000 0.216 175 G HA3 -0.250 3.715 3.960 0.008 0.000 0.216 175 G C 1.856 176.609 174.900 -0.244 0.000 1.171 175 G CA 1.015 46.047 45.100 -0.114 0.000 0.775 175 G HN 0.651 nan 8.290 nan 0.000 0.543 176 A N 0.896 123.614 122.820 -0.170 0.000 1.892 176 A HA -0.095 4.230 4.320 0.008 0.000 0.218 176 A C 2.317 179.897 177.584 -0.006 0.000 1.188 176 A CA 2.191 54.148 52.037 -0.133 0.000 0.631 176 A CB -0.426 18.532 19.000 -0.069 0.000 0.822 176 A HN 0.401 nan 8.150 nan 0.000 0.447 177 K N -1.264 119.172 120.400 0.060 0.000 2.097 177 K HA -0.161 4.164 4.320 0.008 0.000 0.205 177 K C 2.345 179.002 176.600 0.095 0.000 1.050 177 K CA 1.541 57.977 56.287 0.248 0.000 0.938 177 K CB -0.095 32.622 32.500 0.361 0.000 0.718 177 K HN 0.500 nan 8.250 nan 0.000 0.442 178 Q N 0.509 120.179 119.800 -0.218 0.000 2.172 178 Q HA -0.004 4.341 4.340 0.008 0.000 0.200 178 Q C 1.829 177.660 176.000 -0.281 0.000 0.964 178 Q CA 1.388 56.953 55.803 -0.396 0.000 0.855 178 Q CB -0.071 28.269 28.738 -0.664 0.000 0.918 178 Q HN 0.312 nan 8.270 nan 0.000 0.444 179 A N -0.419 122.232 122.820 -0.282 0.000 1.902 179 A HA -0.189 4.136 4.320 0.008 0.000 0.217 179 A C 1.797 179.349 177.584 -0.055 0.000 1.181 179 A CA 1.490 53.299 52.037 -0.380 0.000 0.623 179 A CB -1.148 17.285 19.000 -0.944 0.000 0.818 179 A HN 0.721 nan 8.150 nan 0.000 0.443 180 W N 0.860 122.144 121.300 -0.027 0.000 2.378 180 W HA -0.103 4.561 4.660 0.006 0.000 0.313 180 W C 2.324 178.831 176.519 -0.020 0.000 1.197 180 W CA 1.484 58.901 57.345 0.121 0.000 1.304 180 W CB -0.775 28.754 29.460 0.114 0.000 1.148 180 W HN 0.346 nan 8.180 nan 0.000 0.494 181 R N 0.419 120.846 120.500 -0.122 0.000 2.117 181 R HA -0.217 4.128 4.340 0.008 0.000 0.243 181 R C 1.659 177.812 176.300 -0.246 0.000 1.143 181 R CA 1.945 57.773 56.100 -0.452 0.000 0.968 181 R CB -0.619 29.086 30.300 -0.991 0.000 0.863 181 R HN 0.131 nan 8.270 nan 0.000 0.444 182 N N 0.321 118.923 118.700 -0.163 0.000 2.494 182 N HA -0.009 4.736 4.740 0.008 0.000 0.182 182 N C -0.213 175.262 175.510 -0.060 0.000 1.076 182 N CA 0.777 53.754 53.050 -0.122 0.000 0.908 182 N CB 0.156 38.570 38.487 -0.122 0.000 0.967 182 N HN 0.189 nan 8.380 nan 0.000 0.449 183 A N 2.093 124.932 122.820 0.032 0.000 2.489 183 A HA 0.218 4.543 4.320 0.008 0.000 0.289 183 A C -1.280 176.310 177.584 0.011 0.000 1.216 183 A CA -0.926 51.147 52.037 0.061 0.000 0.883 183 A CB 0.259 19.363 19.000 0.173 0.000 1.110 183 A HN 0.023 nan 8.150 nan 0.000 0.523 184 P HA -0.088 nan 4.420 nan 0.000 0.222 184 P C 1.093 178.359 177.300 -0.057 0.000 1.147 184 P CA 1.046 64.105 63.100 -0.068 0.000 0.790 184 P CB 0.179 31.802 31.700 -0.128 0.000 0.780 185 R N -2.084 118.350 120.500 -0.109 0.000 2.317 185 R HA 0.146 4.491 4.340 0.008 0.000 0.208 185 R C 0.239 176.551 176.300 0.020 0.000 0.914 185 R CA -0.107 55.921 56.100 -0.120 0.000 1.060 185 R CB -0.269 29.742 30.300 -0.482 0.000 1.015 185 R HN 0.181 nan 8.270 nan 0.000 0.498 186 C N 0.214 119.529 119.300 0.026 0.000 2.273 186 C HA 0.265 4.730 4.460 0.008 0.000 0.328 186 C C 1.778 176.758 174.990 -0.016 0.000 1.275 186 C CA -0.715 58.343 59.018 0.068 0.000 1.704 186 C CB 0.862 28.709 27.740 0.179 0.000 2.326 186 C HN 0.256 nan 8.230 nan 0.000 0.517 187 V N 5.829 125.685 119.914 -0.096 0.000 3.541 187 V HA 0.231 4.356 4.120 0.008 0.000 0.267 187 V C 1.759 177.897 176.094 0.075 0.000 1.213 187 V CA 1.980 64.124 62.300 -0.259 0.000 1.149 187 V CB -0.060 31.609 31.823 -0.257 0.000 0.822 187 V HN 1.088 nan 8.190 nan 0.000 0.462 188 G N -0.599 108.279 108.800 0.130 0.000 3.314 188 G HA2 0.040 4.005 3.960 0.008 0.000 0.238 188 G HA3 0.040 4.005 3.960 0.008 0.000 0.238 188 G C 1.246 176.220 174.900 0.122 0.000 1.184 188 G CA -0.322 44.871 45.100 0.154 0.000 0.806 188 G HN 0.436 nan 8.290 nan 0.000 0.536 189 R N -0.172 120.314 120.500 -0.023 0.000 2.316 189 R HA 0.200 4.545 4.340 0.008 0.000 0.202 189 R C 1.962 177.871 176.300 -0.652 0.000 1.029 189 R CA -0.038 55.761 56.100 -0.500 0.000 1.018 189 R CB -0.122 29.816 30.300 -0.602 0.000 0.888 189 R HN 0.393 nan 8.270 nan 0.000 0.471 190 I N 1.050 121.430 120.570 -0.316 0.000 2.530 190 I HA -0.270 3.905 4.170 0.008 0.000 0.257 190 I C 1.250 177.294 176.117 -0.121 0.000 1.179 190 I CA 1.325 62.586 61.300 -0.065 0.000 1.440 190 I CB 0.158 38.206 38.000 0.079 0.000 1.087 190 I HN 0.252 nan 8.210 nan 0.000 0.440 191 Q N 0.289 119.961 119.800 -0.214 0.000 2.403 191 Q HA -0.107 4.238 4.340 0.008 0.000 0.203 191 Q C 1.673 177.275 176.000 -0.662 0.000 0.932 191 Q CA 0.384 56.050 55.803 -0.230 0.000 0.945 191 Q CB -0.170 28.607 28.738 0.066 0.000 1.045 191 Q HN 0.769 nan 8.270 nan 0.000 0.511 192 W N 0.219 120.841 121.300 -1.131 0.000 2.325 192 W HA -0.134 4.532 4.660 0.011 0.000 0.299 192 W C 1.195 177.411 176.519 -0.506 0.000 1.215 192 W CA 1.237 57.720 57.345 -1.436 0.000 1.244 192 W CB -1.259 27.580 29.460 -1.034 0.000 1.140 192 W HN 0.085 nan 8.180 nan 0.000 0.523 193 G N 1.172 109.188 108.800 -1.307 0.000 2.679 193 G HA2 -0.172 3.793 3.960 0.008 0.000 0.212 193 G HA3 -0.172 3.793 3.960 0.008 0.000 0.212 193 G C 0.797 175.447 174.900 -0.417 0.000 1.137 193 G CA 0.071 44.497 45.100 -1.123 0.000 0.787 193 G HN 0.272 nan 8.290 nan 0.000 0.534 194 K N 0.133 120.405 120.400 -0.213 0.000 2.499 194 K HA 0.508 4.833 4.320 0.008 0.000 0.215 194 K C -1.688 175.027 176.600 0.191 0.000 1.041 194 K CA -0.704 55.581 56.287 -0.004 0.000 1.031 194 K CB 0.393 32.910 32.500 0.028 0.000 1.479 194 K HN 0.064 nan 8.250 nan 0.000 0.518 195 L N 2.765 124.085 121.223 0.162 0.000 2.439 195 L HA 0.357 4.702 4.340 0.008 0.000 0.270 195 L C -1.291 175.587 176.870 0.013 0.000 0.972 195 L CA -0.369 54.589 54.840 0.195 0.000 0.836 195 L CB 1.964 44.226 42.059 0.338 0.000 1.255 195 L HN 0.396 nan 8.230 nan 0.000 0.404 196 Q N 2.952 122.703 119.800 -0.081 0.000 2.307 196 Q HA 0.476 4.821 4.340 0.008 0.000 0.259 196 Q C -1.318 174.379 176.000 -0.505 0.000 0.998 196 Q CA 0.028 55.614 55.803 -0.362 0.000 0.923 196 Q CB 1.085 29.517 28.738 -0.511 0.000 1.196 196 Q HN 0.532 nan 8.270 nan 0.000 0.416 197 V N 6.317 125.949 119.914 -0.471 0.000 2.348 197 V HA 0.327 4.452 4.120 0.008 0.000 0.270 197 V C -0.563 175.228 176.094 -0.505 0.000 1.037 197 V CA -0.510 61.571 62.300 -0.365 0.000 0.872 197 V CB 0.008 31.718 31.823 -0.188 0.000 1.002 197 V HN 0.608 nan 8.190 nan 0.000 0.464 198 F N 2.832 122.664 119.950 -0.195 0.000 2.411 198 F HA 0.345 4.874 4.527 0.003 0.000 0.355 198 F C 0.640 176.280 175.800 -0.267 0.000 1.117 198 F CA -0.760 57.111 58.000 -0.215 0.000 1.139 198 F CB 0.800 39.677 39.000 -0.205 0.000 1.120 198 F HN 0.409 nan 8.300 nan 0.000 0.493 199 D N 3.200 123.560 120.400 -0.068 0.000 2.339 199 D HA 0.403 5.048 4.640 0.008 0.000 0.241 199 D C -0.078 176.045 176.300 -0.294 0.000 1.183 199 D CA 0.046 53.938 54.000 -0.181 0.000 0.859 199 D CB 1.266 41.996 40.800 -0.115 0.000 1.067 199 D HN 0.632 nan 8.370 nan 0.000 0.484 200 A N 4.635 127.125 122.820 -0.550 0.000 2.676 200 A HA 0.167 4.492 4.320 0.008 0.000 0.297 200 A C 1.332 178.564 177.584 -0.586 0.000 1.132 200 A CA -0.428 51.028 52.037 -0.968 0.000 0.972 200 A CB 0.070 17.982 19.000 -1.813 0.000 1.197 200 A HN 0.550 nan 8.150 nan 0.000 0.524 201 R N 0.560 120.873 120.500 -0.311 0.000 2.323 201 R HA -0.043 4.302 4.340 0.008 0.000 0.198 201 R C 0.642 176.889 176.300 -0.090 0.000 0.988 201 R CA 1.059 57.062 56.100 -0.161 0.000 1.041 201 R CB 0.082 30.346 30.300 -0.061 0.000 0.926 201 R HN 0.651 nan 8.270 nan 0.000 0.476 202 D N -0.418 119.944 120.400 -0.064 0.000 2.346 202 D HA -0.074 4.571 4.640 0.008 0.000 0.206 202 D C 0.589 176.948 176.300 0.098 0.000 1.001 202 D CA -0.245 53.775 54.000 0.032 0.000 0.871 202 D CB -0.577 40.266 40.800 0.071 0.000 0.943 202 D HN 0.003 nan 8.370 nan 0.000 0.518 203 C N 2.043 121.397 119.300 0.089 0.000 2.538 203 C HA 0.267 4.732 4.460 0.008 0.000 0.408 203 C C 1.654 176.807 174.990 0.272 0.000 1.421 203 C CA 0.810 59.970 59.018 0.238 0.000 1.642 203 C CB -0.765 27.140 27.740 0.275 0.000 2.553 203 C HN 0.472 nan 8.230 nan 0.000 0.604 204 S N 2.565 118.465 115.700 0.334 0.000 2.847 204 S HA 0.312 4.787 4.470 0.008 0.000 0.254 204 S C -0.023 174.741 174.600 0.274 0.000 1.039 204 S CA 0.274 58.684 58.200 0.350 0.000 1.113 204 S CB -0.229 63.100 63.200 0.215 0.000 1.092 204 S HN 1.340 nan 8.310 nan 0.000 0.620 205 S N -0.287 115.578 115.700 0.275 0.000 2.638 205 S HA 0.831 5.306 4.470 0.008 0.000 0.274 205 S C 0.838 175.532 174.600 0.157 0.000 1.157 205 S CA -0.281 58.016 58.200 0.163 0.000 0.826 205 S CB 1.000 64.275 63.200 0.126 0.000 1.139 205 S HN 0.508 nan 8.310 nan 0.000 0.474 206 A N 0.601 123.482 122.820 0.102 0.000 1.930 206 A HA -0.025 4.300 4.320 0.008 0.000 0.217 206 A C 2.122 179.706 177.584 -0.000 0.000 1.175 206 A CA 2.020 54.113 52.037 0.093 0.000 0.627 206 A CB -1.215 17.893 19.000 0.180 0.000 0.815 206 A HN 0.876 nan 8.150 nan 0.000 0.443 207 Q N 0.181 120.045 119.800 0.107 0.000 2.061 207 Q HA -0.213 4.132 4.340 0.008 0.000 0.204 207 Q C 1.942 177.940 176.000 -0.003 0.000 0.984 207 Q CA 2.354 58.176 55.803 0.031 0.000 0.846 207 Q CB -0.365 28.471 28.738 0.164 0.000 0.902 207 Q HN 0.747 nan 8.270 nan 0.000 0.421 208 E N -0.824 119.425 120.200 0.082 0.000 2.110 208 E HA -0.203 4.152 4.350 0.008 0.000 0.193 208 E C 1.908 178.653 176.600 0.241 0.000 0.988 208 E CA 1.316 57.793 56.400 0.129 0.000 0.804 208 E CB -0.104 29.718 29.700 0.203 0.000 0.745 208 E HN 0.460 nan 8.360 nan 0.000 0.458 209 M N -0.235 119.493 119.600 0.214 0.000 2.149 209 M HA -0.164 4.321 4.480 0.008 0.000 0.261 209 M C 2.105 178.489 176.300 0.139 0.000 1.064 209 M CA 1.241 56.660 55.300 0.198 0.000 1.102 209 M CB -0.334 32.164 32.600 -0.169 0.000 1.369 209 M HN 0.190 nan 8.290 nan 0.000 0.408 210 F N 1.265 121.035 119.950 -0.299 0.000 2.075 210 F HA -0.195 4.338 4.527 0.011 0.000 0.297 210 F C 2.368 178.056 175.800 -0.187 0.000 1.113 210 F CA 1.944 59.689 58.000 -0.423 0.000 1.218 210 F CB -0.890 37.513 39.000 -0.996 0.000 0.984 210 F HN 0.037 nan 8.300 nan 0.000 0.472 211 T N -0.115 114.297 114.554 -0.237 0.000 2.635 211 T HA -0.285 4.070 4.350 0.008 0.000 0.267 211 T C 1.754 176.290 174.700 -0.274 0.000 1.040 211 T CA 2.175 64.087 62.100 -0.313 0.000 1.156 211 T CB -0.886 67.837 68.868 -0.241 0.000 0.863 211 T HN 0.287 nan 8.240 nan 0.000 0.430 212 Y N 0.974 121.220 120.300 -0.090 0.000 2.114 212 Y HA -0.088 4.466 4.550 0.007 0.000 0.282 212 Y C 2.290 178.135 175.900 -0.091 0.000 1.165 212 Y CA 0.724 58.775 58.100 -0.082 0.000 1.148 212 Y CB -0.674 37.803 38.460 0.027 0.000 0.972 212 Y HN 0.205 nan 8.280 nan 0.000 0.504 213 I N -1.649 119.003 120.570 0.138 0.000 2.226 213 I HA -0.364 3.811 4.170 0.008 0.000 0.245 213 I C 2.422 178.478 176.117 -0.101 0.000 1.100 213 I CA 1.090 62.409 61.300 0.032 0.000 1.374 213 I CB -0.558 37.462 38.000 0.034 0.000 1.057 213 I HN 0.269 nan 8.210 nan 0.000 0.413 214 C N 0.725 119.845 119.300 -0.299 0.000 2.429 214 C HA -0.147 4.318 4.460 0.008 0.000 0.277 214 C C 2.654 177.533 174.990 -0.186 0.000 1.262 214 C CA 0.950 59.771 59.018 -0.328 0.000 1.733 214 C CB -1.408 25.992 27.740 -0.566 0.000 2.010 214 C HN 0.547 nan 8.230 nan 0.000 0.483 215 N N -0.060 118.520 118.700 -0.200 0.000 2.120 215 N HA -0.151 4.594 4.740 0.008 0.000 0.188 215 N C 1.401 176.804 175.510 -0.179 0.000 1.024 215 N CA 1.519 54.444 53.050 -0.207 0.000 0.852 215 N CB -0.840 37.467 38.487 -0.301 0.000 1.003 215 N HN 0.747 nan 8.380 nan 0.000 0.424 216 H N 0.390 119.313 119.070 -0.245 0.000 2.290 216 H HA 0.013 4.575 4.556 0.010 0.000 0.298 216 H C 2.094 177.435 175.328 0.020 0.000 1.087 216 H CA 1.766 57.735 56.048 -0.132 0.000 1.291 216 H CB -0.107 29.625 29.762 -0.051 0.000 1.369 216 H HN 0.103 nan 8.280 nan 0.000 0.492 217 I N 0.549 121.250 120.570 0.218 0.000 2.179 217 I HA -0.282 3.893 4.170 0.008 0.000 0.242 217 I C 2.470 178.647 176.117 0.100 0.000 1.088 217 I CA 1.530 62.922 61.300 0.153 0.000 1.357 217 I CB -0.254 37.769 38.000 0.038 0.000 1.051 217 I HN 0.297 nan 8.210 nan 0.000 0.409 218 K N -0.113 120.312 120.400 0.043 0.000 2.009 218 K HA -0.268 4.057 4.320 0.008 0.000 0.210 218 K C 2.251 178.884 176.600 0.054 0.000 1.049 218 K CA 2.096 58.398 56.287 0.026 0.000 0.929 218 K CB -0.521 31.974 32.500 -0.008 0.000 0.714 218 K HN 0.249 nan 8.250 nan 0.000 0.440 219 Y N 1.259 121.542 120.300 -0.028 0.000 2.097 219 Y HA -0.289 4.263 4.550 0.003 0.000 0.282 219 Y C 2.247 178.187 175.900 0.065 0.000 1.152 219 Y CA 1.733 59.846 58.100 0.023 0.000 1.136 219 Y CB -0.356 38.133 38.460 0.047 0.000 0.975 219 Y HN 0.082 nan 8.280 nan 0.000 0.498 220 A N -1.056 121.885 122.820 0.202 0.000 1.972 220 A HA -0.154 4.171 4.320 0.008 0.000 0.219 220 A C 2.177 179.810 177.584 0.082 0.000 1.169 220 A CA 2.190 54.325 52.037 0.163 0.000 0.635 220 A CB -1.149 17.998 19.000 0.245 0.000 0.810 220 A HN 0.530 nan 8.150 nan 0.000 0.446 221 T N -0.631 113.962 114.554 0.065 0.000 2.852 221 T HA -0.026 4.329 4.350 0.008 0.000 0.256 221 T C 0.993 175.696 174.700 0.005 0.000 1.038 221 T CA 0.960 63.097 62.100 0.061 0.000 1.141 221 T CB -0.313 68.591 68.868 0.060 0.000 0.869 221 T HN 0.602 nan 8.240 nan 0.000 0.439 222 N N 1.216 119.888 118.700 -0.047 0.000 2.714 222 N HA -0.231 4.514 4.740 0.008 0.000 0.252 222 N C -0.234 175.246 175.510 -0.049 0.000 1.014 222 N CA 0.408 53.405 53.050 -0.088 0.000 0.735 222 N CB -1.368 37.025 38.487 -0.157 0.000 0.924 222 N HN 0.434 nan 8.380 nan 0.000 0.540 223 R N -1.757 118.727 120.500 -0.027 0.000 3.502 223 R HA -0.234 4.111 4.340 0.008 0.000 0.266 223 R C 1.298 177.584 176.300 -0.023 0.000 1.077 223 R CA 1.330 57.417 56.100 -0.022 0.000 0.718 223 R CB -1.791 28.493 30.300 -0.027 0.000 1.120 223 R HN 0.981 nan 8.270 nan 0.000 0.457 224 G N -0.632 108.164 108.800 -0.008 0.000 2.259 224 G HA2 -0.306 3.659 3.960 0.008 0.000 0.217 224 G HA3 -0.306 3.659 3.960 0.008 0.000 0.217 224 G C -0.058 174.836 174.900 -0.009 0.000 1.001 224 G CA 0.007 45.105 45.100 -0.004 0.000 0.627 224 G HN 0.383 nan 8.290 nan 0.000 0.501 225 N N 1.385 120.067 118.700 -0.031 0.000 3.083 225 N HA 0.490 5.235 4.740 0.008 0.000 0.260 225 N C 0.287 175.777 175.510 -0.034 0.000 1.163 225 N CA -0.430 52.585 53.050 -0.058 0.000 1.060 225 N CB -0.189 38.257 38.487 -0.068 0.000 1.345 225 N HN 0.199 nan 8.380 nan 0.000 0.515 226 L N 1.891 123.125 121.223 0.018 0.000 2.483 226 L HA 0.251 4.596 4.340 0.008 0.000 0.276 226 L C 0.742 177.758 176.870 0.244 0.000 1.213 226 L CA 0.688 55.620 54.840 0.154 0.000 0.843 226 L CB 0.327 42.570 42.059 0.306 0.000 1.107 226 L HN 0.355 nan 8.230 nan 0.000 0.487 227 R N 1.233 121.874 120.500 0.236 0.000 2.532 227 R HA 0.420 4.765 4.340 0.008 0.000 0.297 227 R C -0.681 175.782 176.300 0.271 0.000 0.984 227 R CA -0.681 55.578 56.100 0.266 0.000 0.884 227 R CB 1.638 31.981 30.300 0.071 0.000 1.182 227 R HN 0.566 nan 8.270 nan 0.000 0.442 228 S N 1.572 117.414 115.700 0.237 0.000 2.537 228 S HA 0.380 4.855 4.470 0.008 0.000 0.286 228 S C -0.175 174.474 174.600 0.082 0.000 1.299 228 S CA -0.112 58.122 58.200 0.057 0.000 1.067 228 S CB 1.006 64.183 63.200 -0.038 0.000 0.864 228 S HN 0.693 nan 8.310 nan 0.000 0.494 229 A N 2.894 125.732 122.820 0.031 0.000 2.606 229 A HA 0.828 5.153 4.320 0.008 0.000 0.293 229 A C -1.183 176.462 177.584 0.101 0.000 1.082 229 A CA -0.676 51.343 52.037 -0.030 0.000 0.685 229 A CB 1.229 20.158 19.000 -0.118 0.000 1.284 229 A HN 0.801 nan 8.150 nan 0.000 0.408 230 I N 0.421 121.054 120.570 0.106 0.000 2.722 230 I HA 0.658 4.833 4.170 0.008 0.000 0.295 230 I C -1.129 175.128 176.117 0.233 0.000 1.161 230 I CA -0.164 61.307 61.300 0.285 0.000 1.032 230 I CB 2.448 40.561 38.000 0.189 0.000 1.244 230 I HN 0.606 nan 8.210 nan 0.000 0.421 231 T N 6.185 120.894 114.554 0.257 0.000 2.792 231 T HA 0.480 4.835 4.350 0.008 0.000 0.280 231 T C -0.787 173.755 174.700 -0.264 0.000 0.990 231 T CA -0.389 61.709 62.100 -0.003 0.000 0.960 231 T CB 1.560 70.410 68.868 -0.029 0.000 0.939 231 T HN 0.272 nan 8.240 nan 0.000 0.439 232 V N 4.797 124.467 119.914 -0.406 0.000 2.347 232 V HA 0.502 4.627 4.120 0.008 0.000 0.280 232 V C -0.467 175.318 176.094 -0.516 0.000 1.021 232 V CA -0.846 61.217 62.300 -0.395 0.000 0.847 232 V CB 0.098 31.649 31.823 -0.453 0.000 0.990 232 V HN 0.722 nan 8.190 nan 0.000 0.444 233 F N 5.045 124.883 119.950 -0.187 0.000 2.375 233 F HA 0.557 5.091 4.527 0.010 0.000 0.317 233 F C -1.810 173.838 175.800 -0.254 0.000 1.124 233 F CA -2.418 55.376 58.000 -0.343 0.000 1.050 233 F CB 0.373 39.142 39.000 -0.384 0.000 1.314 233 F HN 0.285 nan 8.300 nan 0.000 0.511 234 P HA 0.004 nan 4.420 nan 0.000 0.267 234 P C -1.129 176.227 177.300 0.093 0.000 1.200 234 P CA -0.224 62.818 63.100 -0.096 0.000 0.772 234 P CB 0.228 31.824 31.700 -0.174 0.000 0.855 235 Q N 2.011 121.835 119.800 0.039 0.000 2.417 235 Q HA 0.180 4.525 4.340 0.008 0.000 0.241 235 Q C 0.164 176.087 176.000 -0.129 0.000 1.008 235 Q CA -0.716 54.887 55.803 -0.334 0.000 0.901 235 Q CB 0.631 28.901 28.738 -0.780 0.000 1.259 235 Q HN 0.293 nan 8.270 nan 0.000 0.489 236 R N 0.320 120.716 120.500 -0.174 0.000 2.585 236 R HA 0.230 4.575 4.340 0.008 0.000 0.275 236 R C -1.154 175.097 176.300 -0.081 0.000 1.018 236 R CA 0.663 56.720 56.100 -0.073 0.000 1.072 236 R CB 0.195 30.442 30.300 -0.087 0.000 0.953 236 R HN 0.681 nan 8.270 nan 0.000 0.419 237 A N 5.893 128.704 122.820 -0.016 0.000 2.356 237 A HA 0.576 4.901 4.320 0.008 0.000 0.323 237 A C -2.400 175.178 177.584 -0.009 0.000 1.119 237 A CA -1.897 50.133 52.037 -0.010 0.000 0.790 237 A CB 1.214 20.238 19.000 0.039 0.000 1.273 237 A HN 0.706 nan 8.150 nan 0.000 0.452 238 P HA 0.246 nan 4.420 nan 0.000 0.266 238 P C 0.677 177.980 177.300 0.004 0.000 1.215 238 P CA 1.339 64.435 63.100 -0.006 0.000 0.763 238 P CB 0.500 32.198 31.700 -0.004 0.000 0.806 239 G N 2.668 111.469 108.800 0.002 0.000 2.371 239 G HA2 -0.235 3.730 3.960 0.008 0.000 0.299 239 G HA3 -0.235 3.730 3.960 0.008 0.000 0.299 239 G C 0.032 174.937 174.900 0.008 0.000 1.014 239 G CA -0.060 45.043 45.100 0.005 0.000 1.097 239 G HN 0.854 nan 8.290 nan 0.000 0.512 240 R N -0.333 120.171 120.500 0.007 0.000 2.563 240 R HA 0.521 4.866 4.340 0.008 0.000 0.262 240 R C 0.580 176.880 176.300 -0.000 0.000 1.128 240 R CA 0.052 56.156 56.100 0.007 0.000 0.969 240 R CB 0.732 31.046 30.300 0.023 0.000 1.251 240 R HN 0.803 nan 8.270 nan 0.000 0.442 241 G N 1.943 110.731 108.800 -0.020 0.000 2.664 241 G HA2 0.099 4.064 3.960 0.008 0.000 0.242 241 G HA3 0.099 4.064 3.960 0.008 0.000 0.242 241 G C -0.411 174.469 174.900 -0.034 0.000 1.225 241 G CA -0.235 44.847 45.100 -0.029 0.000 0.849 241 G HN 0.562 nan 8.290 nan 0.000 0.581 242 D N -0.496 119.900 120.400 -0.008 0.000 2.313 242 D HA 0.288 4.933 4.640 0.008 0.000 0.247 242 D C -0.086 176.214 176.300 0.000 0.000 1.094 242 D CA 0.093 54.120 54.000 0.045 0.000 0.925 242 D CB 0.863 41.697 40.800 0.058 0.000 1.188 242 D HN 0.097 nan 8.370 nan 0.000 0.430 243 F N 1.527 121.494 119.950 0.028 0.000 2.456 243 F HA 0.282 4.815 4.527 0.010 0.000 0.358 243 F C 1.047 176.854 175.800 0.012 0.000 1.095 243 F CA 0.109 58.106 58.000 -0.004 0.000 1.216 243 F CB 0.582 39.571 39.000 -0.019 0.000 1.125 243 F HN -0.201 nan 8.300 nan 0.000 0.549 244 R N 3.910 124.506 120.500 0.160 0.000 2.564 244 R HA 0.462 4.807 4.340 0.008 0.000 0.284 244 R C -1.223 175.195 176.300 0.196 0.000 1.031 244 R CA -0.921 55.294 56.100 0.192 0.000 0.904 244 R CB 1.895 32.361 30.300 0.275 0.000 1.199 244 R HN 0.613 nan 8.270 nan 0.000 0.443 245 I N 2.813 123.478 120.570 0.158 0.000 2.304 245 I HA 0.148 4.323 4.170 0.008 0.000 0.291 245 I C 0.623 176.923 176.117 0.304 0.000 1.018 245 I CA -0.306 61.092 61.300 0.162 0.000 1.260 245 I CB 0.952 38.992 38.000 0.066 0.000 1.390 245 I HN 0.519 nan 8.210 nan 0.000 0.475 246 W N 3.485 124.805 121.300 0.033 0.000 2.418 246 W HA -0.060 4.605 4.660 0.008 0.000 0.292 246 W C 0.966 177.580 176.519 0.159 0.000 1.213 246 W CA 0.047 57.476 57.345 0.139 0.000 1.283 246 W CB -0.924 28.606 29.460 0.117 0.000 1.119 246 W HN 0.398 nan 8.180 nan 0.000 0.542 247 N N 0.210 119.064 118.700 0.258 0.000 2.454 247 N HA -0.017 4.728 4.740 0.008 0.000 0.254 247 N C 1.332 176.901 175.510 0.098 0.000 1.228 247 N CA 0.943 54.072 53.050 0.132 0.000 0.900 247 N CB 0.659 39.159 38.487 0.022 0.000 1.089 247 N HN -0.066 nan 8.380 nan 0.000 0.449 248 S N 0.914 116.668 115.700 0.091 0.000 2.436 248 S HA -0.024 4.451 4.470 0.008 0.000 0.228 248 S C 0.320 174.909 174.600 -0.018 0.000 1.014 248 S CA 0.587 58.817 58.200 0.051 0.000 0.950 248 S CB 0.094 63.356 63.200 0.103 0.000 0.784 248 S HN 0.646 nan 8.310 nan 0.000 0.504 249 Q N -0.552 119.226 119.800 -0.037 0.000 2.423 249 Q HA 0.507 4.852 4.340 0.008 0.000 0.278 249 Q C 0.251 176.162 176.000 -0.149 0.000 1.097 249 Q CA -0.557 55.181 55.803 -0.107 0.000 0.809 249 Q CB 2.032 30.728 28.738 -0.070 0.000 1.391 249 Q HN 0.125 nan 8.270 nan 0.000 0.428 250 L N 0.180 121.291 121.223 -0.187 0.000 2.083 250 L HA -0.010 4.335 4.340 0.008 0.000 0.209 250 L C 0.420 177.140 176.870 -0.250 0.000 1.083 250 L CA 0.927 55.658 54.840 -0.183 0.000 0.752 250 L CB 0.084 42.031 42.059 -0.188 0.000 0.899 250 L HN 0.285 nan 8.230 nan 0.000 0.433 251 V N 0.879 120.559 119.914 -0.389 0.000 2.407 251 V HA 0.463 4.588 4.120 0.008 0.000 0.291 251 V C -0.188 175.291 176.094 -1.026 0.000 1.018 251 V CA -0.648 61.235 62.300 -0.696 0.000 0.842 251 V CB 1.635 32.963 31.823 -0.824 0.000 0.996 251 V HN 0.187 nan 8.190 nan 0.000 0.426 252 R N 2.633 122.695 120.500 -0.729 0.000 2.707 252 R HA 0.538 4.883 4.340 0.008 0.000 0.272 252 R C -1.817 174.258 176.300 -0.375 0.000 1.011 252 R CA -0.841 54.973 56.100 -0.477 0.000 0.893 252 R CB 2.683 32.888 30.300 -0.159 0.000 1.233 252 R HN 0.551 nan 8.270 nan 0.000 0.464 253 Y N 0.222 120.523 120.300 0.002 0.000 2.334 253 Y HA 0.436 4.991 4.550 0.009 0.000 0.328 253 Y C 0.895 176.780 175.900 -0.025 0.000 1.130 253 Y CA -0.635 57.485 58.100 0.033 0.000 1.163 253 Y CB 1.167 39.725 38.460 0.164 0.000 1.207 253 Y HN 0.679 nan 8.280 nan 0.000 0.471 254 A N 1.442 124.320 122.820 0.095 0.000 2.466 254 A HA 0.516 4.841 4.320 0.008 0.000 0.238 254 A C 0.584 177.965 177.584 -0.337 0.000 1.074 254 A CA 0.374 52.301 52.037 -0.183 0.000 0.774 254 A CB -0.336 18.486 19.000 -0.296 0.000 1.015 254 A HN 0.948 nan 8.150 nan 0.000 0.498 255 G N 0.525 109.091 108.800 -0.390 0.000 2.675 255 G HA2 0.541 4.506 3.960 0.008 0.000 0.297 255 G HA3 0.541 4.506 3.960 0.008 0.000 0.297 255 G C -1.238 173.485 174.900 -0.294 0.000 1.399 255 G CA -0.265 44.651 45.100 -0.306 0.000 0.981 255 G HN 0.489 nan 8.290 nan 0.000 0.519 256 Y N 1.239 121.555 120.300 0.026 0.000 2.353 256 Y HA 0.443 4.998 4.550 0.008 0.000 0.340 256 Y C 0.899 176.801 175.900 0.004 0.000 0.972 256 Y CA -1.154 56.960 58.100 0.023 0.000 1.157 256 Y CB 1.430 39.897 38.460 0.012 0.000 1.157 256 Y HN 0.549 nan 8.280 nan 0.000 0.495 257 R N 3.334 123.925 120.500 0.152 0.000 2.316 257 R HA 0.145 4.490 4.340 0.008 0.000 0.314 257 R C -0.378 175.966 176.300 0.073 0.000 1.069 257 R CA -0.317 55.833 56.100 0.084 0.000 0.959 257 R CB 0.369 30.708 30.300 0.064 0.000 0.987 257 R HN 0.598 nan 8.270 nan 0.000 0.446 258 Q N 2.561 122.392 119.800 0.051 0.000 2.256 258 Q HA 0.007 4.352 4.340 0.008 0.000 0.232 258 Q C 0.414 176.425 176.000 0.020 0.000 0.965 258 Q CA -0.319 55.503 55.803 0.032 0.000 0.908 258 Q CB 1.385 30.138 28.738 0.025 0.000 1.209 258 Q HN 0.625 nan 8.270 nan 0.000 0.489 259 Q N 0.832 120.637 119.800 0.009 0.000 2.291 259 Q HA -0.143 4.202 4.340 0.008 0.000 0.206 259 Q C 0.485 176.488 176.000 0.005 0.000 0.976 259 Q CA 1.659 57.464 55.803 0.004 0.000 0.875 259 Q CB 0.299 29.035 28.738 -0.004 0.000 0.927 259 Q HN 0.597 nan 8.270 nan 0.000 0.450 260 D N -3.130 117.274 120.400 0.007 0.000 2.342 260 D HA 0.144 4.789 4.640 0.008 0.000 0.221 260 D C 0.926 177.232 176.300 0.010 0.000 1.101 260 D CA 0.618 54.622 54.000 0.007 0.000 0.837 260 D CB 0.562 41.364 40.800 0.004 0.000 0.938 260 D HN 0.324 nan 8.370 nan 0.000 0.508 261 G N 1.383 110.192 108.800 0.014 0.000 2.268 261 G HA2 -0.348 3.617 3.960 0.008 0.000 0.240 261 G HA3 -0.348 3.617 3.960 0.008 0.000 0.240 261 G C 0.631 175.542 174.900 0.019 0.000 1.010 261 G CA 0.420 45.530 45.100 0.017 0.000 0.618 261 G HN 0.691 nan 8.290 nan 0.000 0.516 262 S N -0.607 115.102 115.700 0.016 0.000 2.626 262 S HA 0.665 5.140 4.470 0.008 0.000 0.257 262 S C 0.116 174.725 174.600 0.015 0.000 1.288 262 S CA 0.220 58.429 58.200 0.014 0.000 0.980 262 S CB 2.004 65.210 63.200 0.010 0.000 0.975 262 S HN 1.224 nan 8.310 nan 0.000 0.577 263 V N 1.023 120.938 119.914 0.003 0.000 2.588 263 V HA 0.525 4.650 4.120 0.008 0.000 0.304 263 V C 0.008 176.091 176.094 -0.019 0.000 1.042 263 V CA -0.843 61.456 62.300 -0.003 0.000 0.877 263 V CB 1.542 33.347 31.823 -0.031 0.000 0.996 263 V HN 0.937 nan 8.190 nan 0.000 0.425 264 R N 2.727 123.245 120.500 0.030 0.000 2.221 264 R HA 0.647 4.992 4.340 0.008 0.000 0.327 264 R C 0.664 176.952 176.300 -0.019 0.000 1.033 264 R CA 1.035 57.158 56.100 0.039 0.000 0.887 264 R CB 0.779 31.161 30.300 0.137 0.000 1.057 264 R HN 1.215 nan 8.270 nan 0.000 0.455 265 G N 3.051 111.758 108.800 -0.155 0.000 2.464 265 G HA2 -0.248 3.717 3.960 0.008 0.000 0.216 265 G HA3 -0.248 3.717 3.960 0.008 0.000 0.216 265 G C -1.304 173.246 174.900 -0.583 0.000 1.186 265 G CA -0.084 44.856 45.100 -0.266 0.000 1.010 265 G HN 0.629 nan 8.290 nan 0.000 0.585 266 D N 1.719 121.893 120.400 -0.377 0.000 2.359 266 D HA 0.581 5.226 4.640 0.008 0.000 0.230 266 D C -1.113 175.080 176.300 -0.178 0.000 1.118 266 D CA -2.016 51.759 54.000 -0.375 0.000 0.844 266 D CB 1.531 42.406 40.800 0.125 0.000 1.059 266 D HN -0.010 nan 8.370 nan 0.000 0.493 267 P HA -0.059 nan 4.420 nan 0.000 0.222 267 P C 0.933 178.241 177.300 0.013 0.000 1.147 267 P CA 0.733 63.794 63.100 -0.065 0.000 0.790 267 P CB 0.253 31.925 31.700 -0.047 0.000 0.780 268 A N -0.315 122.529 122.820 0.040 0.000 2.070 268 A HA -0.147 4.178 4.320 0.008 0.000 0.220 268 A C 1.663 179.308 177.584 0.101 0.000 1.159 268 A CA 1.490 53.587 52.037 0.100 0.000 0.656 268 A CB -0.835 18.248 19.000 0.138 0.000 0.800 268 A HN 0.158 nan 8.150 nan 0.000 0.453 269 N N -0.717 118.021 118.700 0.064 0.000 2.235 269 N HA 0.160 4.904 4.740 0.008 0.000 0.231 269 N C 1.022 176.539 175.510 0.012 0.000 1.177 269 N CA 0.124 53.205 53.050 0.051 0.000 0.874 269 N CB 0.752 39.264 38.487 0.042 0.000 1.097 269 N HN 0.171 nan 8.380 nan 0.000 0.518 270 V N 1.176 121.102 119.914 0.020 0.000 2.287 270 V HA -0.229 3.896 4.120 0.008 0.000 0.248 270 V C 2.126 178.230 176.094 0.016 0.000 1.053 270 V CA 1.780 64.087 62.300 0.012 0.000 1.027 270 V CB -0.146 31.695 31.823 0.030 0.000 0.646 270 V HN 0.343 nan 8.190 nan 0.000 0.447 271 E N -0.707 119.514 120.200 0.034 0.000 2.072 271 E HA -0.202 4.153 4.350 0.008 0.000 0.191 271 E C 2.110 178.629 176.600 -0.136 0.000 0.985 271 E CA 1.351 57.743 56.400 -0.013 0.000 0.801 271 E CB -0.164 29.589 29.700 0.089 0.000 0.750 271 E HN 0.488 nan 8.360 nan 0.000 0.452 272 I N 1.043 121.552 120.570 -0.102 0.000 2.394 272 I HA -0.184 3.991 4.170 0.008 0.000 0.251 272 I C 1.973 178.031 176.117 -0.098 0.000 1.136 272 I CA 1.462 62.666 61.300 -0.160 0.000 1.425 272 I CB -0.238 37.734 38.000 -0.046 0.000 1.079 272 I HN -0.006 nan 8.210 nan 0.000 0.425 273 T N 0.156 114.683 114.554 -0.045 0.000 2.701 273 T HA -0.214 4.141 4.350 0.008 0.000 0.263 273 T C 1.787 176.547 174.700 0.101 0.000 1.040 273 T CA 1.596 63.712 62.100 0.027 0.000 1.147 273 T CB -0.332 68.537 68.868 0.003 0.000 0.865 273 T HN 0.528 nan 8.240 nan 0.000 0.426 274 E N 0.905 121.136 120.200 0.051 0.000 2.097 274 E HA -0.165 4.190 4.350 0.008 0.000 0.196 274 E C 2.139 178.757 176.600 0.031 0.000 1.000 274 E CA 1.057 57.488 56.400 0.051 0.000 0.804 274 E CB -0.293 29.416 29.700 0.016 0.000 0.740 274 E HN 0.446 nan 8.360 nan 0.000 0.454 275 L N 0.172 121.371 121.223 -0.040 0.000 2.109 275 L HA -0.173 4.172 4.340 0.008 0.000 0.207 275 L C 2.758 179.693 176.870 0.109 0.000 1.086 275 L CA 0.789 55.623 54.840 -0.010 0.000 0.760 275 L CB -0.228 41.721 42.059 -0.182 0.000 0.910 275 L HN 0.394 nan 8.230 nan 0.000 0.437 276 C N -0.035 119.298 119.300 0.056 0.000 2.429 276 C HA -0.148 4.317 4.460 0.008 0.000 0.277 276 C C 2.681 177.815 174.990 0.239 0.000 1.262 276 C CA 0.516 59.579 59.018 0.075 0.000 1.733 276 C CB -0.597 27.101 27.740 -0.071 0.000 2.010 276 C HN 0.423 nan 8.230 nan 0.000 0.483 277 I N 0.322 121.064 120.570 0.287 0.000 2.179 277 I HA -0.280 3.895 4.170 0.008 0.000 0.242 277 I C 2.680 178.863 176.117 0.110 0.000 1.088 277 I CA 1.568 63.010 61.300 0.235 0.000 1.357 277 I CB -0.720 37.391 38.000 0.185 0.000 1.051 277 I HN 0.423 nan 8.210 nan 0.000 0.409 278 Q N -0.154 119.685 119.800 0.065 0.000 2.197 278 Q HA -0.250 4.095 4.340 0.008 0.000 0.207 278 Q C 1.423 177.351 176.000 -0.120 0.000 0.984 278 Q CA 1.565 57.346 55.803 -0.036 0.000 0.869 278 Q CB -0.132 28.566 28.738 -0.067 0.000 0.906 278 Q HN 0.621 nan 8.270 nan 0.000 0.426 279 H N -2.125 116.932 119.070 -0.022 0.000 2.517 279 H HA 0.200 4.761 4.556 0.009 0.000 0.282 279 H C 0.658 175.958 175.328 -0.047 0.000 1.023 279 H CA 0.544 56.552 56.048 -0.066 0.000 1.169 279 H CB 0.855 30.535 29.762 -0.137 0.000 1.454 279 H HN 0.388 nan 8.280 nan 0.000 0.556 280 G N -0.363 108.486 108.800 0.081 0.000 2.154 280 G HA2 -0.240 3.725 3.960 0.008 0.000 0.186 280 G HA3 -0.240 3.725 3.960 0.008 0.000 0.186 280 G C -0.256 174.717 174.900 0.123 0.000 1.000 280 G CA -0.279 44.854 45.100 0.054 0.000 0.664 280 G HN 0.313 nan 8.290 nan 0.000 0.513 281 W N 2.644 123.923 121.300 -0.035 0.000 2.266 281 W HA 0.623 5.288 4.660 0.009 0.000 0.317 281 W C 0.376 176.888 176.519 -0.011 0.000 1.310 281 W CA 0.202 57.530 57.345 -0.028 0.000 1.207 281 W CB 0.725 30.178 29.460 -0.011 0.000 1.199 281 W HN 0.055 nan 8.180 nan 0.000 0.544 282 T N 9.750 124.029 114.554 -0.458 0.000 2.727 282 T HA 0.189 4.544 4.350 0.008 0.000 0.295 282 T C -2.114 171.823 174.700 -1.272 0.000 0.915 282 T CA -0.850 60.887 62.100 -0.604 0.000 1.066 282 T CB 0.365 69.029 68.868 -0.340 0.000 0.891 282 T HN 0.212 nan 8.240 nan 0.000 0.516 283 P HA 0.353 nan 4.420 nan 0.000 0.277 283 P C 0.520 177.390 177.300 -0.716 0.000 1.240 283 P CA -0.366 61.941 63.100 -1.323 0.000 0.798 283 P CB 0.921 32.306 31.700 -0.526 0.000 0.979 284 G N 1.093 109.644 108.800 -0.415 0.000 2.504 284 G HA2 0.140 4.105 3.960 0.008 0.000 0.257 284 G HA3 0.140 4.105 3.960 0.008 0.000 0.257 284 G C 0.063 174.699 174.900 -0.440 0.000 1.451 284 G CA -0.200 44.779 45.100 -0.201 0.000 1.059 284 G HN 0.571 nan 8.290 nan 0.000 0.550 285 N N -1.151 117.398 118.700 -0.251 0.000 2.471 285 N HA 0.246 4.991 4.740 0.008 0.000 0.270 285 N C 0.161 175.648 175.510 -0.038 0.000 1.490 285 N CA 0.131 52.975 53.050 -0.343 0.000 0.850 285 N CB 0.631 38.952 38.487 -0.277 0.000 1.411 285 N HN 0.657 nan 8.380 nan 0.000 0.488 286 G N -0.579 108.317 108.800 0.160 0.000 2.552 286 G HA2 0.352 4.317 3.960 0.008 0.000 0.324 286 G HA3 0.352 4.317 3.960 0.008 0.000 0.324 286 G C 0.579 175.555 174.900 0.126 0.000 1.217 286 G CA -0.504 44.681 45.100 0.141 0.000 0.989 286 G HN 0.213 nan 8.290 nan 0.000 0.490 287 R N -0.987 119.456 120.500 -0.094 0.000 2.275 287 R HA 0.102 4.447 4.340 0.008 0.000 0.199 287 R C -0.196 175.647 176.300 -0.761 0.000 0.989 287 R CA 0.757 56.603 56.100 -0.423 0.000 1.016 287 R CB 0.066 29.928 30.300 -0.730 0.000 0.918 287 R HN 0.374 nan 8.270 nan 0.000 0.473 288 F N 0.501 120.397 119.950 -0.090 0.000 2.677 288 F HA 0.250 4.782 4.527 0.008 0.000 0.388 288 F C -0.668 175.059 175.800 -0.121 0.000 1.400 288 F CA -1.333 56.329 58.000 -0.564 0.000 1.162 288 F CB 0.475 39.034 39.000 -0.735 0.000 1.135 288 F HN -0.266 nan 8.300 nan 0.000 0.516 289 D N 1.632 122.186 120.400 0.257 0.000 2.325 289 D HA 0.184 4.829 4.640 0.008 0.000 0.251 289 D C 0.255 176.818 176.300 0.438 0.000 1.196 289 D CA 0.183 54.412 54.000 0.382 0.000 0.866 289 D CB 2.123 43.212 40.800 0.483 0.000 1.101 289 D HN -0.091 nan 8.370 nan 0.000 0.476 290 V N 4.004 124.144 119.914 0.378 0.000 2.485 290 V HA -0.025 4.100 4.120 0.008 0.000 0.287 290 V C 1.070 177.179 176.094 0.025 0.000 1.022 290 V CA -0.211 62.196 62.300 0.177 0.000 1.067 290 V CB 0.152 32.036 31.823 0.102 0.000 0.967 290 V HN 0.356 nan 8.190 nan 0.000 0.479 291 L N 8.414 129.551 121.223 -0.143 0.000 2.452 291 L HA 0.321 4.666 4.340 0.008 0.000 0.267 291 L C -1.664 174.956 176.870 -0.415 0.000 1.188 291 L CA -1.241 53.366 54.840 -0.389 0.000 0.821 291 L CB 0.995 42.862 42.059 -0.321 0.000 1.102 291 L HN 0.502 nan 8.230 nan 0.000 0.470 292 P HA 0.224 nan 4.420 nan 0.000 0.281 292 P C -1.140 175.980 177.300 -0.300 0.000 1.264 292 P CA -0.707 62.121 63.100 -0.452 0.000 0.824 292 P CB 1.104 32.402 31.700 -0.671 0.000 1.092 293 L N 1.319 122.455 121.223 -0.145 0.000 2.326 293 L HA 0.303 4.648 4.340 0.008 0.000 0.278 293 L C 0.143 176.960 176.870 -0.088 0.000 1.092 293 L CA -0.328 54.476 54.840 -0.060 0.000 0.810 293 L CB -0.020 42.084 42.059 0.074 0.000 1.153 293 L HN 0.260 nan 8.230 nan 0.000 0.439 294 L N 5.092 126.253 121.223 -0.104 0.000 2.316 294 L HA 0.541 4.886 4.340 0.008 0.000 0.280 294 L C -0.819 175.933 176.870 -0.197 0.000 1.006 294 L CA -0.056 54.641 54.840 -0.239 0.000 0.836 294 L CB 0.933 42.807 42.059 -0.309 0.000 1.221 294 L HN 0.376 nan 8.230 nan 0.000 0.418 295 L N 4.216 125.334 121.223 -0.175 0.000 2.362 295 L HA 0.575 4.920 4.340 0.008 0.000 0.275 295 L C -0.485 176.279 176.870 -0.176 0.000 0.998 295 L CA -0.591 54.193 54.840 -0.094 0.000 0.820 295 L CB 2.123 44.197 42.059 0.026 0.000 1.270 295 L HN 0.558 nan 8.230 nan 0.000 0.415 296 Q N 2.497 122.216 119.800 -0.135 0.000 2.333 296 Q HA 0.724 5.069 4.340 0.008 0.000 0.268 296 Q C -1.138 174.773 176.000 -0.149 0.000 1.007 296 Q CA -0.500 55.222 55.803 -0.136 0.000 0.810 296 Q CB 2.170 30.916 28.738 0.014 0.000 1.264 296 Q HN 0.771 nan 8.270 nan 0.000 0.452 297 A N 4.995 127.683 122.820 -0.219 0.000 2.295 297 A HA 0.690 5.015 4.320 0.008 0.000 0.318 297 A C -2.442 174.885 177.584 -0.429 0.000 1.134 297 A CA -1.834 49.925 52.037 -0.464 0.000 0.827 297 A CB 0.344 19.169 19.000 -0.291 0.000 1.136 297 A HN 0.653 nan 8.150 nan 0.000 0.493 298 P HA -0.027 nan 4.420 nan 0.000 0.259 298 P C -0.525 176.673 177.300 -0.169 0.000 1.163 298 P CA 1.085 63.983 63.100 -0.337 0.000 0.760 298 P CB 0.101 31.608 31.700 -0.322 0.000 0.762 299 D N 0.205 120.551 120.400 -0.091 0.000 2.983 299 D HA -0.194 4.451 4.640 0.008 0.000 0.225 299 D C -0.127 176.150 176.300 -0.039 0.000 1.174 299 D CA 1.313 55.288 54.000 -0.042 0.000 0.831 299 D CB -0.802 39.978 40.800 -0.033 0.000 1.104 299 D HN 0.567 nan 8.370 nan 0.000 0.421 300 E N -0.630 119.535 120.200 -0.057 0.000 2.277 300 E HA 0.660 5.015 4.350 0.008 0.000 0.266 300 E C -0.025 176.548 176.600 -0.045 0.000 0.901 300 E CA -0.782 55.586 56.400 -0.052 0.000 0.782 300 E CB 1.623 31.278 29.700 -0.076 0.000 1.228 300 E HN 0.160 nan 8.360 nan 0.000 0.424 301 A N 2.782 125.577 122.820 -0.042 0.000 2.466 301 A HA 0.266 4.591 4.320 0.008 0.000 0.238 301 A C -2.105 175.352 177.584 -0.211 0.000 1.074 301 A CA -0.871 51.127 52.037 -0.065 0.000 0.774 301 A CB -0.415 18.575 19.000 -0.016 0.000 1.015 301 A HN 0.321 nan 8.150 nan 0.000 0.498 302 P HA 0.251 nan 4.420 nan 0.000 0.275 302 P C -0.673 176.325 177.300 -0.502 0.000 1.228 302 P CA 0.028 62.726 63.100 -0.669 0.000 0.786 302 P CB 0.781 31.595 31.700 -1.477 0.000 0.927 303 E N 0.758 120.744 120.200 -0.356 0.000 2.202 303 E HA 0.448 4.803 4.350 0.008 0.000 0.272 303 E C -0.769 175.538 176.600 -0.489 0.000 0.951 303 E CA -1.039 55.138 56.400 -0.372 0.000 0.813 303 E CB 1.404 30.933 29.700 -0.286 0.000 1.151 303 E HN 0.284 nan 8.360 nan 0.000 0.398 304 L N 2.907 123.750 121.223 -0.634 0.000 2.289 304 L HA 0.469 4.814 4.340 0.008 0.000 0.285 304 L C -1.625 174.713 176.870 -0.886 0.000 1.049 304 L CA 0.076 54.587 54.840 -0.547 0.000 0.804 304 L CB 0.269 42.125 42.059 -0.337 0.000 1.195 304 L HN 0.414 nan 8.230 nan 0.000 0.428 305 F N 4.326 124.048 119.950 -0.379 0.000 2.562 305 F HA 0.455 4.988 4.527 0.010 0.000 0.319 305 F C -0.349 175.207 175.800 -0.406 0.000 1.154 305 F CA -0.915 56.730 58.000 -0.592 0.000 0.931 305 F CB 1.858 40.185 39.000 -1.121 0.000 1.198 305 F HN 0.060 nan 8.300 nan 0.000 0.444 306 V N 4.760 124.591 119.914 -0.139 0.000 2.461 306 V HA 0.219 4.343 4.120 0.008 0.000 0.275 306 V C 0.243 176.438 176.094 0.169 0.000 1.047 306 V CA -0.687 61.617 62.300 0.008 0.000 0.955 306 V CB 0.990 32.858 31.823 0.074 0.000 0.988 306 V HN 0.524 nan 8.190 nan 0.000 0.471 307 L N 7.377 128.718 121.223 0.196 0.000 2.410 307 L HA 0.291 4.636 4.340 0.008 0.000 0.273 307 L C -2.084 174.891 176.870 0.176 0.000 1.144 307 L CA -1.436 53.553 54.840 0.249 0.000 0.863 307 L CB 0.291 42.427 42.059 0.128 0.000 1.140 307 L HN 0.447 nan 8.230 nan 0.000 0.463 308 P HA 0.087 nan 4.420 nan 0.000 0.266 308 P C -2.036 175.315 177.300 0.084 0.000 1.215 308 P CA -1.035 62.137 63.100 0.119 0.000 0.763 308 P CB 0.373 32.133 31.700 0.100 0.000 0.806 309 P HA -0.227 nan 4.420 nan 0.000 0.217 309 P C 1.339 178.671 177.300 0.053 0.000 1.148 309 P CA 1.289 64.432 63.100 0.072 0.000 0.828 309 P CB -0.154 31.592 31.700 0.077 0.000 0.783 310 E N -0.459 119.768 120.200 0.044 0.000 2.338 310 E HA -0.139 4.216 4.350 0.008 0.000 0.197 310 E C 1.439 178.052 176.600 0.023 0.000 1.007 310 E CA 0.994 57.412 56.400 0.030 0.000 0.849 310 E CB -0.869 28.845 29.700 0.024 0.000 0.774 310 E HN 0.208 nan 8.360 nan 0.000 0.506 311 L N 0.975 122.213 121.223 0.024 0.000 2.341 311 L HA 0.054 4.398 4.340 0.008 0.000 0.214 311 L C 0.805 177.686 176.870 0.018 0.000 1.115 311 L CA 0.592 55.439 54.840 0.012 0.000 0.820 311 L CB 0.340 42.398 42.059 -0.002 0.000 0.944 311 L HN -0.083 nan 8.230 nan 0.000 0.452 312 V N 1.440 121.370 119.914 0.026 0.000 2.270 312 V HA 0.197 4.322 4.120 0.008 0.000 0.263 312 V C -0.015 176.106 176.094 0.045 0.000 1.066 312 V CA -0.853 61.462 62.300 0.026 0.000 0.857 312 V CB 0.958 32.789 31.823 0.013 0.000 1.099 312 V HN -0.008 nan 8.190 nan 0.000 0.476 313 L N 5.404 126.658 121.223 0.051 0.000 2.410 313 L HA 0.342 4.687 4.340 0.008 0.000 0.273 313 L C 0.295 177.202 176.870 0.061 0.000 1.144 313 L CA 0.966 55.831 54.840 0.041 0.000 0.863 313 L CB 0.288 42.366 42.059 0.031 0.000 1.140 313 L HN 0.642 nan 8.230 nan 0.000 0.463 314 E N 3.169 123.385 120.200 0.027 0.000 2.299 314 E HA 0.586 4.941 4.350 0.008 0.000 0.265 314 E C -1.411 175.134 176.600 -0.093 0.000 0.911 314 E CA -1.032 55.381 56.400 0.023 0.000 0.789 314 E CB 2.370 32.115 29.700 0.074 0.000 1.246 314 E HN 0.351 nan 8.360 nan 0.000 0.427 315 V N 2.947 122.768 119.914 -0.155 0.000 2.376 315 V HA 0.296 4.421 4.120 0.008 0.000 0.287 315 V C -2.409 173.616 176.094 -0.117 0.000 1.015 315 V CA -2.074 60.069 62.300 -0.261 0.000 0.834 315 V CB 1.183 32.577 31.823 -0.715 0.000 1.001 315 V HN 0.532 nan 8.190 nan 0.000 0.428 316 P HA 0.261 nan 4.420 nan 0.000 0.271 316 P C -0.641 176.667 177.300 0.012 0.000 1.216 316 P CA -0.087 62.985 63.100 -0.046 0.000 0.771 316 P CB 0.616 32.299 31.700 -0.029 0.000 0.864 317 L N 3.607 124.873 121.223 0.072 0.000 2.275 317 L HA 0.424 4.769 4.340 0.008 0.000 0.288 317 L C 1.014 178.049 176.870 0.275 0.000 1.046 317 L CA -0.161 54.791 54.840 0.188 0.000 0.805 317 L CB 0.565 42.794 42.059 0.285 0.000 1.193 317 L HN 0.502 nan 8.230 nan 0.000 0.426 318 E N 2.191 122.512 120.200 0.201 0.000 2.416 318 E HA 0.425 4.780 4.350 0.008 0.000 0.273 318 E C -1.333 175.251 176.600 -0.027 0.000 0.935 318 E CA -0.956 55.560 56.400 0.194 0.000 0.784 318 E CB 2.325 32.116 29.700 0.152 0.000 1.301 318 E HN 0.447 nan 8.360 nan 0.000 0.454 319 H N 1.119 120.021 119.070 -0.280 0.000 2.472 319 H HA 0.238 4.799 4.556 0.009 0.000 0.338 319 H C -1.809 173.236 175.328 -0.472 0.000 1.133 319 H CA -2.297 53.447 56.048 -0.507 0.000 1.216 319 H CB 2.010 31.368 29.762 -0.674 0.000 1.497 319 H HN 0.399 nan 8.280 nan 0.000 0.500 320 P HA -0.110 nan 4.420 nan 0.000 0.218 320 P C 0.973 178.087 177.300 -0.311 0.000 1.149 320 P CA 1.706 64.287 63.100 -0.865 0.000 0.817 320 P CB 0.387 31.553 31.700 -0.890 0.000 0.785 321 T N -4.769 109.755 114.554 -0.051 0.000 2.964 321 T HA 0.204 4.559 4.350 0.008 0.000 0.250 321 T C 0.802 175.468 174.700 -0.056 0.000 0.982 321 T CA -0.195 61.898 62.100 -0.010 0.000 0.959 321 T CB -0.573 68.302 68.868 0.011 0.000 1.141 321 T HN -0.075 nan 8.240 nan 0.000 0.494 322 L N 2.774 123.914 121.223 -0.138 0.000 2.334 322 L HA 0.385 4.730 4.340 0.008 0.000 0.286 322 L C 1.203 177.725 176.870 -0.581 0.000 1.108 322 L CA -0.300 54.187 54.840 -0.589 0.000 0.875 322 L CB 0.532 41.868 42.059 -1.204 0.000 1.246 322 L HN 0.251 nan 8.230 nan 0.000 0.439 323 E N 3.345 123.360 120.200 -0.309 0.000 2.265 323 E HA -0.182 4.173 4.350 0.008 0.000 0.196 323 E C 1.479 178.055 176.600 -0.041 0.000 0.996 323 E CA 1.230 57.564 56.400 -0.111 0.000 0.832 323 E CB 0.073 29.775 29.700 0.003 0.000 0.756 323 E HN 0.813 nan 8.360 nan 0.000 0.491 324 W N -0.306 121.045 121.300 0.086 0.000 2.800 324 W HA 0.017 4.682 4.660 0.009 0.000 0.249 324 W C 1.406 177.986 176.519 0.102 0.000 1.294 324 W CA -0.276 57.111 57.345 0.070 0.000 1.402 324 W CB -0.726 28.755 29.460 0.034 0.000 1.126 324 W HN -0.058 nan 8.180 nan 0.000 0.652 325 F N 3.032 122.798 119.950 -0.306 0.000 2.186 325 F HA -0.016 4.516 4.527 0.008 0.000 0.299 325 F C 2.611 178.441 175.800 0.050 0.000 1.090 325 F CA 2.444 60.352 58.000 -0.153 0.000 1.307 325 F CB -0.578 38.167 39.000 -0.424 0.000 1.019 325 F HN -0.094 nan 8.300 nan 0.000 0.489 326 A N 0.239 123.206 122.820 0.245 0.000 1.978 326 A HA -0.099 4.226 4.320 0.008 0.000 0.220 326 A C 2.331 179.984 177.584 0.114 0.000 1.170 326 A CA 1.570 53.714 52.037 0.178 0.000 0.636 326 A CB -1.462 17.615 19.000 0.127 0.000 0.810 326 A HN 0.433 nan 8.150 nan 0.000 0.448 327 A N -1.026 121.871 122.820 0.128 0.000 2.121 327 A HA 0.108 4.433 4.320 0.008 0.000 0.218 327 A C 1.722 179.350 177.584 0.073 0.000 1.154 327 A CA 1.167 53.267 52.037 0.106 0.000 0.679 327 A CB -0.381 18.700 19.000 0.135 0.000 0.795 327 A HN 0.368 nan 8.150 nan 0.000 0.458 328 L N -0.855 120.388 121.223 0.034 0.000 2.362 328 L HA 0.083 4.428 4.340 0.008 0.000 0.219 328 L C 1.881 178.765 176.870 0.023 0.000 1.134 328 L CA 1.142 55.969 54.840 -0.022 0.000 0.807 328 L CB -1.268 40.668 42.059 -0.205 0.000 0.927 328 L HN 0.639 nan 8.230 nan 0.000 0.447 329 G N -0.346 108.475 108.800 0.034 0.000 2.249 329 G HA2 -0.294 3.670 3.960 0.008 0.000 0.273 329 G HA3 -0.294 3.670 3.960 0.008 0.000 0.273 329 G C 0.352 175.265 174.900 0.021 0.000 1.036 329 G CA 0.341 45.473 45.100 0.053 0.000 0.824 329 G HN 0.321 nan 8.290 nan 0.000 0.504 330 L N -0.220 120.983 121.223 -0.032 0.000 2.418 330 L HA 0.751 5.096 4.340 0.008 0.000 0.265 330 L C 1.086 177.765 176.870 -0.319 0.000 1.143 330 L CA -0.575 54.174 54.840 -0.151 0.000 0.809 330 L CB 0.953 43.015 42.059 0.005 0.000 1.124 330 L HN 0.564 nan 8.230 nan 0.000 0.456 331 R N 1.795 121.891 120.500 -0.674 0.000 2.692 331 R HA 0.466 4.811 4.340 0.008 0.000 0.269 331 R C -2.231 173.985 176.300 -0.141 0.000 1.030 331 R CA -0.942 54.918 56.100 -0.399 0.000 0.882 331 R CB 1.789 31.799 30.300 -0.484 0.000 1.250 331 R HN 0.674 nan 8.270 nan 0.000 0.465 332 W N 2.498 123.737 121.300 -0.101 0.000 3.107 332 W HA 0.357 5.022 4.660 0.008 0.000 0.331 332 W C -1.019 175.575 176.519 0.124 0.000 1.204 332 W CA -1.054 56.322 57.345 0.051 0.000 1.184 332 W CB 1.978 31.395 29.460 -0.072 0.000 1.421 332 W HN 0.693 nan 8.180 nan 0.000 0.544 333 Y N 1.151 121.368 120.300 -0.138 0.000 2.326 333 Y HA 0.483 5.038 4.550 0.008 0.000 0.333 333 Y C 0.831 176.961 175.900 0.384 0.000 1.240 333 Y CA 0.238 58.346 58.100 0.013 0.000 1.365 333 Y CB 0.178 38.508 38.460 -0.217 0.000 1.289 333 Y HN 0.364 nan 8.280 nan 0.000 0.548 334 A N 2.460 125.546 122.820 0.443 0.000 1.970 334 A HA 0.038 4.363 4.320 0.008 0.000 0.216 334 A C 0.540 178.485 177.584 0.603 0.000 1.170 334 A CA 0.569 52.909 52.037 0.505 0.000 0.645 334 A CB -0.323 18.821 19.000 0.241 0.000 0.816 334 A HN 0.692 nan 8.150 nan 0.000 0.447 335 L N 1.797 123.325 121.223 0.508 0.000 2.276 335 L HA 0.450 4.795 4.340 0.008 0.000 0.286 335 L C -2.653 174.368 176.870 0.252 0.000 1.024 335 L CA -2.329 52.694 54.840 0.306 0.000 0.826 335 L CB 1.682 43.853 42.059 0.186 0.000 1.211 335 L HN -0.040 nan 8.230 nan 0.000 0.422 336 P HA 0.400 nan 4.420 nan 0.000 0.292 336 P C -1.496 175.707 177.300 -0.161 0.000 1.326 336 P CA -0.356 62.610 63.100 -0.223 0.000 0.787 336 P CB 1.490 32.656 31.700 -0.891 0.000 0.903 337 A N 4.100 126.828 122.820 -0.154 0.000 2.499 337 A HA 0.437 4.762 4.320 0.008 0.000 0.280 337 A C -0.610 176.739 177.584 -0.393 0.000 1.135 337 A CA -0.622 51.254 52.037 -0.268 0.000 0.744 337 A CB 0.961 19.837 19.000 -0.207 0.000 1.213 337 A HN 0.279 nan 8.150 nan 0.000 0.434 338 V N 3.104 122.583 119.914 -0.725 0.000 2.455 338 V HA 0.292 4.417 4.120 0.008 0.000 0.273 338 V C 1.262 176.964 176.094 -0.654 0.000 1.045 338 V CA 0.906 62.755 62.300 -0.751 0.000 0.976 338 V CB 1.035 32.191 31.823 -1.112 0.000 0.993 338 V HN 1.098 nan 8.190 nan 0.000 0.475 339 S N 2.203 117.711 115.700 -0.321 0.000 2.559 339 S HA 0.032 4.507 4.470 0.008 0.000 0.226 339 S C 0.864 175.419 174.600 -0.074 0.000 1.000 339 S CA 0.189 58.282 58.200 -0.180 0.000 0.948 339 S CB -0.411 62.718 63.200 -0.118 0.000 0.870 339 S HN 0.919 nan 8.310 nan 0.000 0.497 340 N N 0.150 118.801 118.700 -0.082 0.000 2.184 340 N HA 0.279 5.024 4.740 0.008 0.000 0.206 340 N C 0.185 175.664 175.510 -0.052 0.000 1.151 340 N CA -0.503 52.515 53.050 -0.054 0.000 0.878 340 N CB 0.096 38.540 38.487 -0.071 0.000 1.014 340 N HN 0.245 nan 8.380 nan 0.000 0.512 341 M N 1.435 121.052 119.600 0.029 0.000 2.274 341 M HA 0.251 4.736 4.480 0.008 0.000 0.344 341 M C -0.433 175.986 176.300 0.198 0.000 1.161 341 M CA -0.701 54.680 55.300 0.135 0.000 1.126 341 M CB 2.175 34.947 32.600 0.287 0.000 1.522 341 M HN 0.154 nan 8.290 nan 0.000 0.461 342 L N 3.330 124.656 121.223 0.171 0.000 2.292 342 L HA 0.451 4.796 4.340 0.008 0.000 0.284 342 L C -1.130 175.874 176.870 0.224 0.000 1.065 342 L CA -0.739 54.199 54.840 0.163 0.000 0.806 342 L CB 0.929 43.029 42.059 0.068 0.000 1.175 342 L HN 0.597 nan 8.230 nan 0.000 0.431 343 L N 5.486 126.844 121.223 0.225 0.000 2.280 343 L HA 0.456 4.801 4.340 0.008 0.000 0.287 343 L C -0.533 176.391 176.870 0.090 0.000 1.023 343 L CA 0.180 55.065 54.840 0.075 0.000 0.819 343 L CB 1.100 43.203 42.059 0.073 0.000 1.212 343 L HN 0.623 nan 8.230 nan 0.000 0.420 344 E N 6.457 126.628 120.200 -0.048 0.000 2.166 344 E HA 0.450 4.805 4.350 0.008 0.000 0.275 344 E C -1.568 174.962 176.600 -0.116 0.000 0.941 344 E CA -0.480 55.892 56.400 -0.047 0.000 0.784 344 E CB 1.329 30.997 29.700 -0.053 0.000 1.115 344 E HN 0.744 nan 8.360 nan 0.000 0.399 345 I N 2.495 122.996 120.570 -0.116 0.000 2.534 345 I HA 0.241 4.416 4.170 0.008 0.000 0.286 345 I C 0.639 176.579 176.117 -0.295 0.000 1.094 345 I CA -0.679 60.434 61.300 -0.310 0.000 1.055 345 I CB 2.030 39.782 38.000 -0.412 0.000 1.225 345 I HN 0.789 nan 8.210 nan 0.000 0.435 346 G N 4.173 112.848 108.800 -0.207 0.000 2.390 346 G HA2 -0.093 3.872 3.960 0.008 0.000 0.299 346 G HA3 -0.093 3.872 3.960 0.008 0.000 0.299 346 G C 1.052 176.039 174.900 0.146 0.000 1.002 346 G CA 0.887 46.049 45.100 0.103 0.000 0.979 346 G HN 1.586 nan 8.290 nan 0.000 0.513 347 G N -1.706 107.120 108.800 0.044 0.000 2.336 347 G HA2 -0.255 3.710 3.960 0.008 0.000 0.233 347 G HA3 -0.255 3.710 3.960 0.008 0.000 0.233 347 G C 0.643 175.499 174.900 -0.072 0.000 1.053 347 G CA 0.396 45.512 45.100 0.028 0.000 0.625 347 G HN 1.352 nan 8.290 nan 0.000 0.511 348 L N 1.118 122.244 121.223 -0.161 0.000 2.426 348 L HA 0.499 4.844 4.340 0.008 0.000 0.271 348 L C 0.393 177.035 176.870 -0.379 0.000 1.169 348 L CA 0.118 54.738 54.840 -0.367 0.000 0.836 348 L CB 0.665 42.395 42.059 -0.547 0.000 1.112 348 L HN 0.238 nan 8.230 nan 0.000 0.465 349 E N 2.760 122.671 120.200 -0.483 0.000 2.145 349 E HA 0.334 4.689 4.350 0.008 0.000 0.262 349 E C -1.420 174.906 176.600 -0.456 0.000 0.883 349 E CA -0.354 55.853 56.400 -0.322 0.000 0.748 349 E CB 1.226 30.824 29.700 -0.171 0.000 1.140 349 E HN 0.267 nan 8.360 nan 0.000 0.417 350 F N 2.151 122.079 119.950 -0.037 0.000 2.303 350 F HA 0.097 4.630 4.527 0.010 0.000 0.368 350 F C 1.620 177.455 175.800 0.058 0.000 1.105 350 F CA -0.470 57.534 58.000 0.007 0.000 1.153 350 F CB 0.989 39.982 39.000 -0.012 0.000 1.362 350 F HN 0.420 nan 8.300 nan 0.000 0.511 351 S N 1.548 117.350 115.700 0.171 0.000 2.453 351 S HA 0.159 4.634 4.470 0.008 0.000 0.231 351 S C 0.874 175.585 174.600 0.185 0.000 1.005 351 S CA 0.346 58.631 58.200 0.141 0.000 0.949 351 S CB 0.021 63.280 63.200 0.099 0.000 0.774 351 S HN 0.494 nan 8.310 nan 0.000 0.510 352 A N 0.582 123.560 122.820 0.262 0.000 2.323 352 A HA 0.839 5.164 4.320 0.008 0.000 0.305 352 A C -0.134 177.695 177.584 0.408 0.000 1.275 352 A CA -0.224 51.986 52.037 0.289 0.000 0.804 352 A CB 0.903 20.030 19.000 0.212 0.000 1.152 352 A HN 1.062 nan 8.150 nan 0.000 0.487 353 A N 4.309 127.320 122.820 0.319 0.000 3.200 353 A HA 0.608 4.933 4.320 0.008 0.000 0.274 353 A C -3.126 174.606 177.584 0.247 0.000 1.220 353 A CA -0.828 51.371 52.037 0.269 0.000 0.904 353 A CB 0.433 19.587 19.000 0.257 0.000 1.415 353 A HN 0.510 nan 8.150 nan 0.000 0.630 354 P HA 0.513 nan 4.420 nan 0.000 0.271 354 P C -0.743 176.562 177.300 0.008 0.000 1.216 354 P CA 0.241 63.302 63.100 -0.066 0.000 0.776 354 P CB 0.447 32.050 31.700 -0.161 0.000 0.881 355 F N -0.449 119.427 119.950 -0.123 0.000 2.588 355 F HA 0.784 5.315 4.527 0.007 0.000 0.314 355 F C -0.566 175.151 175.800 -0.139 0.000 1.069 355 F CA -1.167 56.772 58.000 -0.100 0.000 0.931 355 F CB 1.649 40.475 39.000 -0.291 0.000 1.260 355 F HN 0.384 nan 8.300 nan 0.000 0.465 356 S N 0.316 116.107 115.700 0.152 0.000 2.564 356 S HA 0.952 5.427 4.470 0.008 0.000 0.274 356 S C -0.721 173.841 174.600 -0.064 0.000 1.124 356 S CA -0.194 58.027 58.200 0.034 0.000 0.869 356 S CB 1.487 64.792 63.200 0.175 0.000 1.105 356 S HN 1.429 nan 8.310 nan 0.000 0.472 357 G N -0.004 108.712 108.800 -0.140 0.000 3.291 357 G HA2 0.763 4.728 3.960 0.008 0.000 0.173 357 G HA3 0.763 4.728 3.960 0.008 0.000 0.173 357 G C -1.481 173.404 174.900 -0.026 0.000 1.099 357 G CA -0.501 44.439 45.100 -0.267 0.000 0.794 357 G HN 1.058 nan 8.290 nan 0.000 0.651 358 W N -1.767 119.537 121.300 0.008 0.000 2.975 358 W HA 0.822 5.486 4.660 0.006 0.000 0.342 358 W C -1.681 174.844 176.519 0.009 0.000 1.168 358 W CA -2.111 55.260 57.345 0.042 0.000 1.141 358 W CB 0.502 30.027 29.460 0.109 0.000 1.445 358 W HN 0.397 nan 8.180 nan 0.000 0.560 359 Y N 2.231 122.731 120.300 0.333 0.000 2.301 359 Y HA 0.346 4.901 4.550 0.009 0.000 0.328 359 Y C 0.797 176.768 175.900 0.119 0.000 1.242 359 Y CA -0.877 57.295 58.100 0.120 0.000 1.323 359 Y CB 1.402 39.836 38.460 -0.043 0.000 1.266 359 Y HN 0.426 nan 8.280 nan 0.000 0.527 360 M N 1.918 121.675 119.600 0.262 0.000 2.188 360 M HA 0.170 4.655 4.480 0.008 0.000 0.357 360 M C 1.078 177.379 176.300 0.002 0.000 1.204 360 M CA -0.150 55.230 55.300 0.133 0.000 1.095 360 M CB 1.047 33.703 32.600 0.092 0.000 1.604 360 M HN 0.846 nan 8.290 nan 0.000 0.464 361 S N 1.152 116.807 115.700 -0.075 0.000 2.419 361 S HA -0.167 4.308 4.470 0.008 0.000 0.235 361 S C 1.495 175.952 174.600 -0.238 0.000 1.019 361 S CA 1.884 59.955 58.200 -0.215 0.000 0.982 361 S CB -1.193 61.918 63.200 -0.148 0.000 0.789 361 S HN 0.928 nan 8.310 nan 0.000 0.490 362 T N -0.065 114.377 114.554 -0.186 0.000 2.915 362 T HA 0.002 4.357 4.350 0.008 0.000 0.269 362 T C 1.555 176.105 174.700 -0.251 0.000 1.071 362 T CA 1.141 63.085 62.100 -0.260 0.000 1.132 362 T CB -0.554 68.121 68.868 -0.322 0.000 0.878 362 T HN 0.583 nan 8.240 nan 0.000 0.479 363 E N 0.896 120.975 120.200 -0.202 0.000 2.077 363 E HA -0.038 4.317 4.350 0.008 0.000 0.193 363 E C 2.051 178.410 176.600 -0.401 0.000 0.989 363 E CA 1.379 57.667 56.400 -0.185 0.000 0.800 363 E CB -0.282 29.447 29.700 0.049 0.000 0.746 363 E HN 0.597 nan 8.360 nan 0.000 0.452 364 I N 0.044 120.235 120.570 -0.632 0.000 2.270 364 I HA -0.060 4.115 4.170 0.008 0.000 0.239 364 I C 2.552 178.304 176.117 -0.608 0.000 1.080 364 I CA 1.012 61.749 61.300 -0.937 0.000 1.383 364 I CB -0.431 36.891 38.000 -1.130 0.000 1.097 364 I HN 0.105 nan 8.210 nan 0.000 0.420 365 G N -0.038 108.512 108.800 -0.418 0.000 2.421 365 G HA2 -0.121 3.844 3.960 0.008 0.000 0.217 365 G HA3 -0.121 3.844 3.960 0.008 0.000 0.217 365 G C 1.605 176.385 174.900 -0.199 0.000 1.143 365 G CA 1.180 46.127 45.100 -0.255 0.000 0.784 365 G HN 0.276 nan 8.290 nan 0.000 0.541 366 T N 0.124 114.539 114.554 -0.232 0.000 2.904 366 T HA 0.091 4.446 4.350 0.008 0.000 0.243 366 T C 2.536 177.128 174.700 -0.179 0.000 1.024 366 T CA 0.283 62.269 62.100 -0.190 0.000 1.158 366 T CB 0.079 68.818 68.868 -0.215 0.000 0.867 366 T HN 0.006 nan 8.240 nan 0.000 0.429 367 R N 1.827 122.202 120.500 -0.209 0.000 2.052 367 R HA 0.074 4.419 4.340 0.008 0.000 0.226 367 R C 2.087 178.282 176.300 -0.174 0.000 1.145 367 R CA 1.209 57.201 56.100 -0.180 0.000 0.952 367 R CB -1.079 29.119 30.300 -0.170 0.000 0.847 367 R HN 0.375 nan 8.270 nan 0.000 0.431 368 D N 0.996 121.242 120.400 -0.258 0.000 2.117 368 D HA -0.107 4.538 4.640 0.008 0.000 0.197 368 D C 2.076 178.317 176.300 -0.098 0.000 0.987 368 D CA 1.069 54.921 54.000 -0.246 0.000 0.829 368 D CB -0.044 40.267 40.800 -0.815 0.000 0.961 368 D HN 0.161 nan 8.370 nan 0.000 0.460 369 L N -0.289 120.821 121.223 -0.189 0.000 2.307 369 L HA 0.021 4.366 4.340 0.008 0.000 0.211 369 L C 1.969 178.871 176.870 0.053 0.000 1.099 369 L CA 0.428 55.252 54.840 -0.028 0.000 0.816 369 L CB 0.243 42.256 42.059 -0.077 0.000 0.952 369 L HN 0.085 nan 8.230 nan 0.000 0.455 370 C N -1.857 117.436 119.300 -0.011 0.000 3.019 370 C HA 0.172 4.637 4.460 0.008 0.000 0.295 370 C C 0.724 175.711 174.990 -0.005 0.000 1.256 370 C CA -0.932 58.092 59.018 0.009 0.000 1.706 370 C CB -0.175 27.556 27.740 -0.015 0.000 2.153 370 C HN 0.292 nan 8.230 nan 0.000 0.618 371 D N 2.774 123.140 120.400 -0.057 0.000 2.525 371 D HA 0.044 4.689 4.640 0.008 0.000 0.235 371 D C -1.453 174.839 176.300 -0.013 0.000 1.137 371 D CA -0.894 53.054 54.000 -0.086 0.000 0.868 371 D CB 0.615 41.217 40.800 -0.330 0.000 1.180 371 D HN 0.172 nan 8.370 nan 0.000 0.465 372 P HA -0.121 nan 4.420 nan 0.000 0.222 372 P C 0.672 178.065 177.300 0.156 0.000 1.147 372 P CA 1.136 64.317 63.100 0.135 0.000 0.790 372 P CB 0.002 31.790 31.700 0.146 0.000 0.780 373 H N -2.848 116.238 119.070 0.026 0.000 2.517 373 H HA 0.356 4.917 4.556 0.008 0.000 0.282 373 H C 0.903 176.244 175.328 0.023 0.000 1.023 373 H CA -0.155 55.906 56.048 0.022 0.000 1.169 373 H CB 0.043 29.817 29.762 0.021 0.000 1.454 373 H HN -0.039 nan 8.280 nan 0.000 0.556 374 R N -0.167 120.244 120.500 -0.147 0.000 3.006 374 R HA 0.189 4.534 4.340 0.008 0.000 0.150 374 R C 1.093 177.371 176.300 -0.036 0.000 1.285 374 R CA -0.705 55.339 56.100 -0.095 0.000 0.813 374 R CB -0.812 29.448 30.300 -0.067 0.000 1.582 374 R HN 0.088 nan 8.270 nan 0.000 0.441 375 Y N 1.635 121.964 120.300 0.047 0.000 2.421 375 Y HA -0.045 4.510 4.550 0.008 0.000 0.292 375 Y C 0.827 176.761 175.900 0.057 0.000 1.136 375 Y CA 1.439 59.584 58.100 0.076 0.000 1.255 375 Y CB -0.172 38.376 38.460 0.148 0.000 0.991 375 Y HN 0.559 nan 8.280 nan 0.000 0.552 376 N N 0.729 119.528 118.700 0.166 0.000 2.740 376 N HA -0.224 4.521 4.740 0.008 0.000 0.248 376 N C 0.436 176.030 175.510 0.140 0.000 1.062 376 N CA 0.382 53.504 53.050 0.120 0.000 0.704 376 N CB -1.109 37.432 38.487 0.090 0.000 0.968 376 N HN 0.609 nan 8.380 nan 0.000 0.547 377 I N -3.178 117.485 120.570 0.156 0.000 3.812 377 I HA 0.041 4.216 4.170 0.008 0.000 0.320 377 I C 1.722 177.933 176.117 0.156 0.000 1.276 377 I CA -0.407 60.981 61.300 0.148 0.000 1.164 377 I CB 0.007 38.095 38.000 0.147 0.000 1.009 377 I HN 0.070 nan 8.210 nan 0.000 0.431 378 L N 1.641 122.968 121.223 0.173 0.000 1.989 378 L HA -0.204 4.140 4.340 0.008 0.000 0.211 378 L C 2.584 179.655 176.870 0.335 0.000 1.071 378 L CA 2.076 57.053 54.840 0.229 0.000 0.749 378 L CB -0.914 41.258 42.059 0.189 0.000 0.890 378 L HN 0.481 nan 8.230 nan 0.000 0.431 379 E N -0.956 119.447 120.200 0.338 0.000 2.051 379 E HA -0.240 4.115 4.350 0.008 0.000 0.192 379 E C 1.773 178.403 176.600 0.050 0.000 0.991 379 E CA 1.366 57.877 56.400 0.184 0.000 0.799 379 E CB 0.028 29.772 29.700 0.073 0.000 0.748 379 E HN 0.497 nan 8.360 nan 0.000 0.449 380 D N 0.064 120.497 120.400 0.054 0.000 2.106 380 D HA -0.179 4.466 4.640 0.008 0.000 0.191 380 D C 2.066 178.362 176.300 -0.006 0.000 0.997 380 D CA 1.334 55.336 54.000 0.003 0.000 0.834 380 D CB -0.341 40.472 40.800 0.021 0.000 0.956 380 D HN 0.134 nan 8.370 nan 0.000 0.448 381 V N 1.348 121.315 119.914 0.088 0.000 2.427 381 V HA -0.195 3.930 4.120 0.008 0.000 0.248 381 V C 2.509 178.687 176.094 0.140 0.000 1.051 381 V CA 1.715 64.116 62.300 0.168 0.000 1.048 381 V CB -0.713 31.291 31.823 0.301 0.000 0.666 381 V HN 0.192 nan 8.190 nan 0.000 0.456 382 A N -0.385 122.526 122.820 0.153 0.000 1.969 382 A HA -0.107 4.218 4.320 0.008 0.000 0.218 382 A C 2.375 179.939 177.584 -0.034 0.000 1.169 382 A CA 1.650 53.770 52.037 0.138 0.000 0.635 382 A CB -0.523 18.660 19.000 0.304 0.000 0.810 382 A HN 0.325 nan 8.150 nan 0.000 0.445 383 V N -0.691 119.155 119.914 -0.114 0.000 2.343 383 V HA -0.329 3.796 4.120 0.008 0.000 0.247 383 V C 2.611 178.553 176.094 -0.253 0.000 1.051 383 V CA 2.145 64.336 62.300 -0.182 0.000 1.036 383 V CB -1.010 30.706 31.823 -0.177 0.000 0.654 383 V HN 0.717 nan 8.190 nan 0.000 0.451 384 C N -0.600 118.471 119.300 -0.382 0.000 2.435 384 C HA -0.106 4.359 4.460 0.008 0.000 0.279 384 C C 2.625 177.210 174.990 -0.674 0.000 1.321 384 C CA 0.833 59.370 59.018 -0.802 0.000 1.752 384 C CB -0.996 25.831 27.740 -1.521 0.000 1.959 384 C HN 0.520 nan 8.230 nan 0.000 0.500 385 M N 0.030 119.489 119.600 -0.236 0.000 2.618 385 M HA 0.016 4.501 4.480 0.008 0.000 0.240 385 M C 0.428 176.729 176.300 0.001 0.000 1.123 385 M CA 0.926 56.262 55.300 0.059 0.000 1.060 385 M CB -0.447 32.273 32.600 0.200 0.000 1.535 385 M HN 0.277 nan 8.290 nan 0.000 0.507 386 D N 1.130 121.477 120.400 -0.087 0.000 2.746 386 D HA -0.142 4.503 4.640 0.008 0.000 0.236 386 D C -0.953 175.326 176.300 -0.035 0.000 1.129 386 D CA 0.413 54.369 54.000 -0.074 0.000 0.691 386 D CB -0.797 39.969 40.800 -0.056 0.000 1.077 386 D HN 0.291 nan 8.370 nan 0.000 0.432 387 L N -0.240 120.964 121.223 -0.031 0.000 2.387 387 L HA 0.423 4.768 4.340 0.008 0.000 0.266 387 L C 0.845 177.667 176.870 -0.080 0.000 1.059 387 L CA -0.908 53.935 54.840 0.005 0.000 0.801 387 L CB 0.793 42.919 42.059 0.112 0.000 1.223 387 L HN -0.019 nan 8.230 nan 0.000 0.456 388 D N 0.477 120.852 120.400 -0.042 0.000 2.435 388 D HA 0.021 4.666 4.640 0.008 0.000 0.230 388 D C 1.024 177.162 176.300 -0.269 0.000 1.215 388 D CA -0.144 53.796 54.000 -0.100 0.000 0.947 388 D CB 0.755 41.549 40.800 -0.011 0.000 1.048 388 D HN 0.590 nan 8.370 nan 0.000 0.512 389 T N 0.815 115.032 114.554 -0.560 0.000 3.148 389 T HA 0.044 4.399 4.350 0.008 0.000 0.253 389 T C 1.417 175.758 174.700 -0.599 0.000 1.134 389 T CA -0.048 61.316 62.100 -1.227 0.000 1.051 389 T CB 0.164 68.255 68.868 -1.296 0.000 0.959 389 T HN 0.095 nan 8.240 nan 0.000 0.525 390 R N 1.090 121.438 120.500 -0.253 0.000 2.200 390 R HA 0.227 4.572 4.340 0.008 0.000 0.208 390 R C 1.126 177.448 176.300 0.038 0.000 1.033 390 R CA 0.432 56.480 56.100 -0.087 0.000 1.000 390 R CB -0.611 29.649 30.300 -0.066 0.000 0.906 390 R HN 0.483 nan 8.270 nan 0.000 0.462 391 T N -0.425 114.192 114.554 0.106 0.000 2.876 391 T HA 0.206 4.561 4.350 0.008 0.000 0.289 391 T C 1.149 176.035 174.700 0.309 0.000 1.014 391 T CA -0.271 61.930 62.100 0.168 0.000 0.986 391 T CB 1.691 70.620 68.868 0.102 0.000 1.021 391 T HN 0.268 nan 8.240 nan 0.000 0.458 392 T N 0.914 115.600 114.554 0.221 0.000 2.821 392 T HA -0.097 4.258 4.350 0.008 0.000 0.267 392 T C 1.998 176.752 174.700 0.090 0.000 1.046 392 T CA 1.602 63.789 62.100 0.145 0.000 1.139 392 T CB -0.656 68.247 68.868 0.058 0.000 0.871 392 T HN 0.660 nan 8.240 nan 0.000 0.454 393 S N 1.928 117.683 115.700 0.093 0.000 2.607 393 S HA 0.009 4.484 4.470 0.008 0.000 0.224 393 S C 2.065 176.714 174.600 0.080 0.000 0.969 393 S CA 0.567 58.805 58.200 0.062 0.000 0.927 393 S CB -0.735 62.495 63.200 0.050 0.000 0.772 393 S HN 0.748 nan 8.310 nan 0.000 0.533 394 S N 1.851 117.636 115.700 0.141 0.000 2.522 394 S HA 0.186 4.661 4.470 0.008 0.000 0.227 394 S C 1.001 175.685 174.600 0.140 0.000 0.986 394 S CA 0.191 58.483 58.200 0.153 0.000 0.929 394 S CB -1.017 62.312 63.200 0.215 0.000 0.769 394 S HN 0.613 nan 8.310 nan 0.000 0.529 395 L N 0.870 122.143 121.223 0.082 0.000 3.839 395 L HA -0.190 4.155 4.340 0.008 0.000 0.416 395 L C 1.736 178.619 176.870 0.023 0.000 1.195 395 L CA 0.717 55.546 54.840 -0.017 0.000 0.946 395 L CB -2.537 39.517 42.059 -0.008 0.000 1.891 395 L HN 0.737 nan 8.230 nan 0.000 0.963 396 W N 0.247 121.558 121.300 0.019 0.000 2.331 396 W HA -0.194 4.471 4.660 0.008 0.000 0.291 396 W C 1.714 178.251 176.519 0.029 0.000 1.214 396 W CA 1.510 58.869 57.345 0.024 0.000 1.228 396 W CB -0.732 28.739 29.460 0.018 0.000 1.135 396 W HN 0.322 nan 8.180 nan 0.000 0.537 397 K N 1.050 121.073 120.400 -0.628 0.000 2.025 397 K HA -0.144 4.181 4.320 0.008 0.000 0.207 397 K C 1.554 178.026 176.600 -0.213 0.000 1.049 397 K CA 2.244 58.179 56.287 -0.586 0.000 0.933 397 K CB -0.458 31.534 32.500 -0.847 0.000 0.714 397 K HN 0.054 nan 8.250 nan 0.000 0.438 398 D N 0.907 121.198 120.400 -0.182 0.000 2.117 398 D HA -0.135 4.510 4.640 0.008 0.000 0.197 398 D C 1.752 178.042 176.300 -0.017 0.000 0.987 398 D CA 1.294 55.241 54.000 -0.088 0.000 0.829 398 D CB 0.007 40.762 40.800 -0.074 0.000 0.961 398 D HN 0.134 nan 8.370 nan 0.000 0.460 399 K N 0.423 120.837 120.400 0.025 0.000 2.025 399 K HA 0.009 4.334 4.320 0.008 0.000 0.207 399 K C 2.232 178.894 176.600 0.104 0.000 1.049 399 K CA 1.098 57.430 56.287 0.075 0.000 0.933 399 K CB -0.154 32.411 32.500 0.108 0.000 0.714 399 K HN 0.086 nan 8.250 nan 0.000 0.438 400 A N 1.564 124.467 122.820 0.139 0.000 1.902 400 A HA -0.121 4.204 4.320 0.008 0.000 0.217 400 A C 2.380 180.043 177.584 0.133 0.000 1.181 400 A CA 1.860 54.006 52.037 0.182 0.000 0.623 400 A CB -0.742 18.405 19.000 0.245 0.000 0.818 400 A HN 0.337 nan 8.150 nan 0.000 0.443 401 A N -0.584 122.274 122.820 0.062 0.000 1.933 401 A HA -0.012 4.313 4.320 0.008 0.000 0.218 401 A C 2.210 179.800 177.584 0.011 0.000 1.175 401 A CA 1.811 53.858 52.037 0.018 0.000 0.628 401 A CB -0.864 18.109 19.000 -0.044 0.000 0.814 401 A HN 0.395 nan 8.150 nan 0.000 0.444 402 V N 0.188 120.118 119.914 0.025 0.000 2.358 402 V HA -0.188 3.937 4.120 0.008 0.000 0.246 402 V C 2.542 178.668 176.094 0.053 0.000 1.047 402 V CA 2.059 64.379 62.300 0.033 0.000 1.035 402 V CB -0.658 31.193 31.823 0.047 0.000 0.658 402 V HN 0.499 nan 8.190 nan 0.000 0.452 403 E N 0.062 120.318 120.200 0.094 0.000 2.072 403 E HA -0.119 4.236 4.350 0.008 0.000 0.191 403 E C 2.130 178.769 176.600 0.064 0.000 0.985 403 E CA 1.185 57.668 56.400 0.138 0.000 0.801 403 E CB -0.328 29.440 29.700 0.114 0.000 0.750 403 E HN 0.576 nan 8.360 nan 0.000 0.452 404 I N 1.674 122.300 120.570 0.093 0.000 2.226 404 I HA -0.270 3.905 4.170 0.008 0.000 0.245 404 I C 2.136 178.229 176.117 -0.041 0.000 1.100 404 I CA 0.901 62.252 61.300 0.086 0.000 1.374 404 I CB -0.316 37.797 38.000 0.188 0.000 1.057 404 I HN 0.082 nan 8.210 nan 0.000 0.413 405 N N 0.659 119.331 118.700 -0.048 0.000 2.120 405 N HA -0.176 4.569 4.740 0.008 0.000 0.188 405 N C 1.925 177.384 175.510 -0.084 0.000 1.024 405 N CA 1.218 54.218 53.050 -0.084 0.000 0.852 405 N CB -0.194 38.244 38.487 -0.082 0.000 1.003 405 N HN 0.203 nan 8.380 nan 0.000 0.424 406 L N 1.542 122.712 121.223 -0.088 0.000 2.083 406 L HA -0.030 4.315 4.340 0.008 0.000 0.209 406 L C 2.217 178.945 176.870 -0.236 0.000 1.083 406 L CA 1.367 56.117 54.840 -0.150 0.000 0.752 406 L CB -0.798 41.143 42.059 -0.197 0.000 0.899 406 L HN 0.048 nan 8.230 nan 0.000 0.433 407 A N -1.271 121.362 122.820 -0.312 0.000 1.898 407 A HA -0.107 4.218 4.320 0.008 0.000 0.216 407 A C 2.259 179.765 177.584 -0.130 0.000 1.181 407 A CA 1.727 53.534 52.037 -0.384 0.000 0.620 407 A CB -1.020 17.444 19.000 -0.892 0.000 0.819 407 A HN 0.277 nan 8.150 nan 0.000 0.442 408 V N 0.042 119.899 119.914 -0.095 0.000 2.287 408 V HA -0.298 3.827 4.120 0.008 0.000 0.248 408 V C 2.586 178.683 176.094 0.005 0.000 1.053 408 V CA 2.165 64.446 62.300 -0.032 0.000 1.027 408 V CB -0.787 30.929 31.823 -0.178 0.000 0.646 408 V HN 0.573 nan 8.190 nan 0.000 0.447 409 L N -0.752 120.441 121.223 -0.050 0.000 2.017 409 L HA -0.229 4.116 4.340 0.008 0.000 0.208 409 L C 2.606 179.507 176.870 0.051 0.000 1.073 409 L CA 2.170 56.999 54.840 -0.018 0.000 0.745 409 L CB -0.698 41.348 42.059 -0.021 0.000 0.894 409 L HN 0.479 nan 8.230 nan 0.000 0.432 410 H N -0.900 118.127 119.070 -0.071 0.000 2.387 410 H HA -0.129 4.433 4.556 0.009 0.000 0.299 410 H C 2.303 177.621 175.328 -0.017 0.000 1.090 410 H CA 1.873 57.874 56.048 -0.079 0.000 1.332 410 H CB 0.170 29.821 29.762 -0.184 0.000 1.386 410 H HN 0.173 nan 8.280 nan 0.000 0.516 411 S N -0.513 115.198 115.700 0.018 0.000 2.371 411 S HA -0.063 4.412 4.470 0.008 0.000 0.224 411 S C 1.792 176.386 174.600 -0.011 0.000 1.029 411 S CA 0.926 59.115 58.200 -0.018 0.000 0.978 411 S CB -0.350 62.906 63.200 0.094 0.000 0.833 411 S HN 0.316 nan 8.310 nan 0.000 0.466 412 F N 2.238 122.137 119.950 -0.085 0.000 2.126 412 F HA -0.138 4.393 4.527 0.008 0.000 0.299 412 F C 2.624 178.370 175.800 -0.091 0.000 1.096 412 F CA 1.154 59.120 58.000 -0.057 0.000 1.255 412 F CB -0.736 38.253 39.000 -0.018 0.000 0.997 412 F HN 0.213 nan 8.300 nan 0.000 0.479 413 Q N -0.289 119.545 119.800 0.056 0.000 2.002 413 Q HA -0.239 4.106 4.340 0.008 0.000 0.204 413 Q C 2.287 178.214 176.000 -0.123 0.000 0.988 413 Q CA 1.857 57.631 55.803 -0.048 0.000 0.843 413 Q CB -0.681 28.014 28.738 -0.071 0.000 0.908 413 Q HN 0.365 nan 8.270 nan 0.000 0.420 414 L N 0.303 121.382 121.223 -0.239 0.000 2.081 414 L HA -0.190 4.155 4.340 0.008 0.000 0.212 414 L C 1.938 178.720 176.870 -0.147 0.000 1.080 414 L CA 1.997 56.695 54.840 -0.236 0.000 0.754 414 L CB -0.368 41.472 42.059 -0.364 0.000 0.893 414 L HN 0.182 nan 8.230 nan 0.000 0.433 415 A N -1.553 121.182 122.820 -0.142 0.000 2.238 415 A HA 0.025 4.350 4.320 0.008 0.000 0.208 415 A C 0.877 178.398 177.584 -0.104 0.000 1.177 415 A CA 0.246 52.204 52.037 -0.131 0.000 0.804 415 A CB -0.244 18.643 19.000 -0.188 0.000 0.823 415 A HN 0.461 nan 8.150 nan 0.000 0.482 416 K N -0.968 119.383 120.400 -0.082 0.000 3.125 416 K HA -0.119 4.206 4.320 0.008 0.000 0.268 416 K C -0.710 175.863 176.600 -0.044 0.000 1.078 416 K CA 0.758 57.010 56.287 -0.059 0.000 0.775 416 K CB -2.611 29.854 32.500 -0.058 0.000 1.253 416 K HN 0.275 nan 8.250 nan 0.000 0.486 417 V N 1.318 121.220 119.914 -0.019 0.000 2.459 417 V HA 0.155 4.280 4.120 0.008 0.000 0.295 417 V C 0.873 177.054 176.094 0.144 0.000 1.029 417 V CA -0.628 61.697 62.300 0.042 0.000 0.874 417 V CB 1.915 33.706 31.823 -0.053 0.000 0.985 417 V HN 0.268 nan 8.190 nan 0.000 0.438 418 T N 6.389 120.980 114.554 0.061 0.000 2.905 418 T HA 0.353 4.708 4.350 0.008 0.000 0.299 418 T C -0.250 174.508 174.700 0.098 0.000 1.024 418 T CA 0.925 62.980 62.100 -0.076 0.000 1.151 418 T CB -0.001 68.668 68.868 -0.332 0.000 0.987 418 T HN 0.563 nan 8.240 nan 0.000 0.535 419 I N 2.540 123.107 120.570 -0.004 0.000 3.004 419 I HA 0.683 4.858 4.170 0.008 0.000 0.305 419 I C -1.605 174.528 176.117 0.026 0.000 1.312 419 I CA -0.961 60.369 61.300 0.050 0.000 0.992 419 I CB 2.079 40.037 38.000 -0.070 0.000 1.282 419 I HN 0.442 nan 8.210 nan 0.000 0.449 420 V N 4.810 124.798 119.914 0.123 0.000 2.686 420 V HA 0.468 4.593 4.120 0.008 0.000 0.306 420 V C -1.245 174.903 176.094 0.089 0.000 1.065 420 V CA -0.324 62.052 62.300 0.127 0.000 0.894 420 V CB 2.127 34.111 31.823 0.267 0.000 1.004 420 V HN 0.899 nan 8.190 nan 0.000 0.424 421 D N 4.148 124.582 120.400 0.056 0.000 2.358 421 D HA 0.154 4.799 4.640 0.008 0.000 0.244 421 D C 1.270 177.583 176.300 0.022 0.000 1.163 421 D CA 0.245 54.273 54.000 0.048 0.000 0.945 421 D CB 0.455 41.260 40.800 0.009 0.000 1.152 421 D HN 0.734 nan 8.370 nan 0.000 0.451 422 H N -0.219 118.772 119.070 -0.132 0.000 2.491 422 H HA -0.122 4.439 4.556 0.008 0.000 0.290 422 H C 1.076 176.282 175.328 -0.204 0.000 1.050 422 H CA 1.294 57.226 56.048 -0.192 0.000 1.309 422 H CB -0.649 28.946 29.762 -0.278 0.000 1.392 422 H HN 0.518 nan 8.280 nan 0.000 0.554 423 H N 1.324 120.189 119.070 -0.342 0.000 2.299 423 H HA 0.111 4.672 4.556 0.008 0.000 0.302 423 H C 2.525 177.829 175.328 -0.040 0.000 1.078 423 H CA 1.451 57.390 56.048 -0.181 0.000 1.323 423 H CB -0.424 29.203 29.762 -0.224 0.000 1.381 423 H HN 0.499 nan 8.280 nan 0.000 0.498 424 A N 1.416 124.290 122.820 0.090 0.000 1.933 424 A HA -0.079 4.246 4.320 0.008 0.000 0.218 424 A C 2.696 180.352 177.584 0.121 0.000 1.175 424 A CA 1.752 53.847 52.037 0.097 0.000 0.628 424 A CB -0.806 18.243 19.000 0.082 0.000 0.814 424 A HN 0.442 nan 8.150 nan 0.000 0.444 425 A N -0.194 122.697 122.820 0.118 0.000 1.877 425 A HA -0.109 4.216 4.320 0.008 0.000 0.216 425 A C 2.469 180.150 177.584 0.162 0.000 1.186 425 A CA 2.603 54.728 52.037 0.147 0.000 0.620 425 A CB -1.394 17.681 19.000 0.125 0.000 0.822 425 A HN 0.748 nan 8.150 nan 0.000 0.443 426 T N -2.693 111.937 114.554 0.126 0.000 2.812 426 T HA -0.082 4.273 4.350 0.008 0.000 0.264 426 T C 1.710 176.537 174.700 0.212 0.000 1.042 426 T CA 1.342 63.540 62.100 0.162 0.000 1.140 426 T CB -0.838 68.092 68.868 0.104 0.000 0.870 426 T HN 0.047 nan 8.240 nan 0.000 0.445 427 V N 2.871 122.885 119.914 0.166 0.000 2.332 427 V HA -0.198 3.927 4.120 0.008 0.000 0.248 427 V C 3.223 179.411 176.094 0.157 0.000 1.055 427 V CA 2.276 64.666 62.300 0.149 0.000 1.038 427 V CB -1.039 30.853 31.823 0.115 0.000 0.651 427 V HN 0.817 nan 8.190 nan 0.000 0.450 428 S N -0.631 115.172 115.700 0.171 0.000 2.428 428 S HA -0.182 4.293 4.470 0.008 0.000 0.230 428 S C 1.918 176.649 174.600 0.218 0.000 1.014 428 S CA 1.357 59.661 58.200 0.172 0.000 0.957 428 S CB -0.640 62.664 63.200 0.174 0.000 0.784 428 S HN 0.540 nan 8.310 nan 0.000 0.499 429 F N 1.900 121.917 119.950 0.111 0.000 2.259 429 F HA 0.172 4.704 4.527 0.008 0.000 0.298 429 F C 2.163 178.055 175.800 0.153 0.000 1.088 429 F CA 0.979 59.059 58.000 0.132 0.000 1.358 429 F CB -0.238 38.820 39.000 0.097 0.000 1.040 429 F HN 0.117 nan 8.300 nan 0.000 0.505 430 M N 0.138 119.833 119.600 0.158 0.000 2.132 430 M HA -0.161 4.324 4.480 0.008 0.000 0.263 430 M C 2.230 178.520 176.300 -0.017 0.000 1.065 430 M CA 1.469 56.806 55.300 0.061 0.000 1.122 430 M CB -1.250 31.424 32.600 0.123 0.000 1.365 430 M HN 0.051 nan 8.290 nan 0.000 0.411 431 K N -0.010 120.407 120.400 0.028 0.000 2.044 431 K HA -0.240 4.085 4.320 0.008 0.000 0.210 431 K C 1.999 178.587 176.600 -0.021 0.000 1.049 431 K CA 2.072 58.368 56.287 0.015 0.000 0.927 431 K CB -0.746 31.785 32.500 0.053 0.000 0.713 431 K HN 0.399 nan 8.250 nan 0.000 0.443 432 H N -0.027 118.965 119.070 -0.130 0.000 2.352 432 H HA -0.065 4.496 4.556 0.008 0.000 0.299 432 H C 1.790 176.958 175.328 -0.267 0.000 1.097 432 H CA 2.307 58.245 56.048 -0.184 0.000 1.311 432 H CB -0.264 29.360 29.762 -0.229 0.000 1.377 432 H HN 0.193 nan 8.280 nan 0.000 0.504 433 L N -0.212 120.720 121.223 -0.486 0.000 1.990 433 L HA -0.234 4.111 4.340 0.008 0.000 0.213 433 L C 2.388 179.098 176.870 -0.268 0.000 1.072 433 L CA 2.035 56.619 54.840 -0.426 0.000 0.755 433 L CB -0.577 41.304 42.059 -0.297 0.000 0.889 433 L HN 0.418 nan 8.230 nan 0.000 0.432 434 D N -0.319 119.976 120.400 -0.176 0.000 2.123 434 D HA -0.196 4.449 4.640 0.008 0.000 0.196 434 D C 1.906 178.136 176.300 -0.118 0.000 0.992 434 D CA 1.222 55.154 54.000 -0.113 0.000 0.833 434 D CB 0.097 40.858 40.800 -0.064 0.000 0.954 434 D HN 0.198 nan 8.370 nan 0.000 0.455 435 N N 0.397 119.014 118.700 -0.139 0.000 2.120 435 N HA -0.124 4.621 4.740 0.008 0.000 0.188 435 N C 1.561 176.986 175.510 -0.142 0.000 1.024 435 N CA 0.837 53.824 53.050 -0.106 0.000 0.852 435 N CB -0.244 38.207 38.487 -0.060 0.000 1.003 435 N HN 0.346 nan 8.380 nan 0.000 0.424 436 E N 0.541 120.575 120.200 -0.276 0.000 2.208 436 E HA -0.128 4.227 4.350 0.008 0.000 0.193 436 E C 1.822 178.327 176.600 -0.157 0.000 0.988 436 E CA 0.428 56.675 56.400 -0.256 0.000 0.828 436 E CB -0.041 29.409 29.700 -0.417 0.000 0.763 436 E HN 0.314 nan 8.360 nan 0.000 0.478 437 Q N 1.644 121.359 119.800 -0.142 0.000 2.050 437 Q HA -0.131 4.214 4.340 0.008 0.000 0.202 437 Q C 1.842 177.799 176.000 -0.072 0.000 0.980 437 Q CA 1.725 57.474 55.803 -0.090 0.000 0.840 437 Q CB 0.015 28.708 28.738 -0.075 0.000 0.898 437 Q HN 0.128 nan 8.270 nan 0.000 0.424 438 K N -0.710 119.650 120.400 -0.067 0.000 2.025 438 K HA -0.051 4.274 4.320 0.008 0.000 0.207 438 K C 2.032 178.605 176.600 -0.045 0.000 1.049 438 K CA 1.216 57.474 56.287 -0.048 0.000 0.933 438 K CB -0.245 32.232 32.500 -0.038 0.000 0.714 438 K HN 0.247 nan 8.250 nan 0.000 0.438 439 A N 1.034 123.826 122.820 -0.045 0.000 1.930 439 A HA -0.043 4.282 4.320 0.008 0.000 0.215 439 A C 1.817 179.378 177.584 -0.039 0.000 1.176 439 A CA 1.071 53.092 52.037 -0.027 0.000 0.632 439 A CB 0.038 19.040 19.000 0.003 0.000 0.819 439 A HN 0.154 nan 8.150 nan 0.000 0.445 440 R N -2.746 117.718 120.500 -0.060 0.000 2.544 440 R HA 0.224 4.569 4.340 0.008 0.000 0.303 440 R C 0.810 177.072 176.300 -0.064 0.000 0.939 440 R CA 0.569 56.634 56.100 -0.059 0.000 1.102 440 R CB 0.701 30.960 30.300 -0.069 0.000 1.440 440 R HN 0.690 nan 8.270 nan 0.000 0.532 441 G N 1.148 109.905 108.800 -0.072 0.000 2.198 441 G HA2 -0.185 3.780 3.960 0.008 0.000 0.257 441 G HA3 -0.185 3.780 3.960 0.008 0.000 0.257 441 G C 0.200 175.066 174.900 -0.057 0.000 1.042 441 G CA 0.248 45.298 45.100 -0.083 0.000 0.791 441 G HN 0.722 nan 8.290 nan 0.000 0.502 442 G N -2.488 106.291 108.800 -0.034 0.000 2.352 442 G HA2 0.524 4.489 3.960 0.008 0.000 0.302 442 G HA3 0.524 4.489 3.960 0.008 0.000 0.302 442 G C -0.794 174.120 174.900 0.023 0.000 1.370 442 G CA 0.292 45.406 45.100 0.024 0.000 0.918 442 G HN 1.912 nan 8.290 nan 0.000 0.610 443 C N 2.097 121.438 119.300 0.068 0.000 2.705 443 C HA 0.735 5.200 4.460 0.008 0.000 0.369 443 C C -2.475 172.507 174.990 -0.012 0.000 1.069 443 C CA -1.302 57.713 59.018 -0.006 0.000 1.260 443 C CB 1.182 28.858 27.740 -0.107 0.000 1.764 443 C HN 0.697 nan 8.230 nan 0.000 0.469 444 P HA 0.385 nan 4.420 nan 0.000 0.267 444 P C -0.651 176.556 177.300 -0.155 0.000 1.209 444 P CA 0.655 63.383 63.100 -0.620 0.000 0.763 444 P CB 0.884 31.993 31.700 -0.984 0.000 0.816 445 A N 2.602 125.404 122.820 -0.031 0.000 2.517 445 A HA 0.417 4.742 4.320 0.008 0.000 0.297 445 A C -1.196 176.451 177.584 0.104 0.000 1.050 445 A CA -0.560 51.543 52.037 0.111 0.000 0.694 445 A CB 1.299 20.489 19.000 0.317 0.000 1.277 445 A HN 0.424 nan 8.150 nan 0.000 0.400 446 D N 1.901 122.345 120.400 0.074 0.000 2.443 446 D HA 0.173 4.818 4.640 0.008 0.000 0.221 446 D C 0.757 177.178 176.300 0.202 0.000 1.097 446 D CA -0.456 53.612 54.000 0.115 0.000 0.865 446 D CB 0.428 41.229 40.800 0.001 0.000 1.034 446 D HN 0.582 nan 8.370 nan 0.000 0.511 447 W N 4.282 125.625 121.300 0.071 0.000 2.335 447 W HA -0.229 4.436 4.660 0.009 0.000 0.311 447 W C 1.913 178.471 176.519 0.065 0.000 1.213 447 W CA 2.142 59.517 57.345 0.050 0.000 1.274 447 W CB 0.024 29.491 29.460 0.012 0.000 1.148 447 W HN 0.561 nan 8.180 nan 0.000 0.498 448 A N -1.385 121.686 122.820 0.417 0.000 2.070 448 A HA -0.175 4.150 4.320 0.008 0.000 0.220 448 A C 1.435 179.070 177.584 0.085 0.000 1.159 448 A CA 1.522 53.732 52.037 0.287 0.000 0.656 448 A CB -1.181 18.024 19.000 0.341 0.000 0.800 448 A HN 0.530 nan 8.150 nan 0.000 0.453 449 W N -1.120 120.132 121.300 -0.080 0.000 2.762 449 W HA 0.238 4.903 4.660 0.008 0.000 0.265 449 W C 1.788 178.184 176.519 -0.204 0.000 1.263 449 W CA -0.114 57.164 57.345 -0.111 0.000 1.411 449 W CB 0.096 29.517 29.460 -0.066 0.000 1.065 449 W HN 0.131 nan 8.180 nan 0.000 0.609 450 I N -0.289 120.226 120.570 -0.093 0.000 2.480 450 I HA -0.033 4.142 4.170 0.008 0.000 0.251 450 I C 0.595 176.496 176.117 -0.360 0.000 1.124 450 I CA 0.711 61.826 61.300 -0.307 0.000 1.444 450 I CB -1.253 36.478 38.000 -0.448 0.000 1.098 450 I HN -0.429 nan 8.210 nan 0.000 0.428 451 V N 4.439 124.053 119.914 -0.501 0.000 2.529 451 V HA 0.068 4.193 4.120 0.008 0.000 0.292 451 V C -1.934 173.984 176.094 -0.293 0.000 1.028 451 V CA -0.938 61.066 62.300 -0.493 0.000 1.074 451 V CB 0.110 31.406 31.823 -0.878 0.000 0.958 451 V HN 0.132 nan 8.190 nan 0.000 0.481 452 P HA 0.217 nan 4.420 nan 0.000 0.274 452 P C -1.921 175.260 177.300 -0.198 0.000 1.231 452 P CA -1.596 61.389 63.100 -0.191 0.000 0.790 452 P CB 0.077 31.682 31.700 -0.159 0.000 0.951 453 P HA -0.015 nan 4.420 nan 0.000 0.226 453 P C 0.285 177.474 177.300 -0.185 0.000 1.153 453 P CA 1.126 64.112 63.100 -0.192 0.000 0.777 453 P CB 0.040 31.617 31.700 -0.204 0.000 0.794 454 I N -6.241 114.182 120.570 -0.245 0.000 2.740 454 I HA 0.470 4.645 4.170 0.008 0.000 0.303 454 I C 0.125 176.136 176.117 -0.178 0.000 1.044 454 I CA -1.180 59.989 61.300 -0.219 0.000 1.064 454 I CB 1.928 39.767 38.000 -0.267 0.000 1.249 454 I HN -0.378 nan 8.210 nan 0.000 0.433 455 S N 2.212 117.859 115.700 -0.088 0.000 3.473 455 S HA -0.213 4.262 4.470 0.008 0.000 0.339 455 S C 1.436 176.012 174.600 -0.041 0.000 1.148 455 S CA 0.811 59.002 58.200 -0.015 0.000 0.969 455 S CB -1.915 61.362 63.200 0.128 0.000 0.936 455 S HN 1.310 nan 8.310 nan 0.000 0.530 456 G N 2.445 111.190 108.800 -0.090 0.000 2.766 456 G HA2 -0.391 3.574 3.960 0.008 0.000 0.222 456 G HA3 -0.391 3.574 3.960 0.008 0.000 0.222 456 G C 1.429 176.208 174.900 -0.202 0.000 1.225 456 G CA 1.845 46.896 45.100 -0.082 0.000 0.784 456 G HN 1.432 nan 8.290 nan 0.000 0.631 457 S N -0.260 115.041 115.700 -0.666 0.000 2.603 457 S HA 0.189 4.664 4.470 0.008 0.000 0.229 457 S C 1.880 176.412 174.600 -0.112 0.000 0.972 457 S CA 0.652 58.316 58.200 -0.893 0.000 0.935 457 S CB 0.060 62.525 63.200 -1.224 0.000 0.769 457 S HN 0.085 nan 8.310 nan 0.000 0.536 458 L N 2.379 123.588 121.223 -0.023 0.000 2.558 458 L HA 0.269 4.614 4.340 0.008 0.000 0.225 458 L C 1.291 178.282 176.870 0.202 0.000 1.128 458 L CA 0.666 55.576 54.840 0.117 0.000 0.868 458 L CB -0.521 41.629 42.059 0.151 0.000 1.006 458 L HN 0.588 nan 8.230 nan 0.000 0.454 459 T N -4.510 110.152 114.554 0.179 0.000 2.925 459 T HA 0.370 4.724 4.350 0.008 0.000 0.285 459 T C -1.762 173.106 174.700 0.281 0.000 1.021 459 T CA -1.927 60.296 62.100 0.204 0.000 1.042 459 T CB 1.767 70.704 68.868 0.115 0.000 1.037 459 T HN -0.164 nan 8.240 nan 0.000 0.481 460 P HA -0.051 nan 4.420 nan 0.000 0.223 460 P C 1.774 179.278 177.300 0.340 0.000 1.151 460 P CA 0.819 64.116 63.100 0.327 0.000 0.787 460 P CB -0.370 31.469 31.700 0.231 0.000 0.788 461 V N -4.096 115.965 119.914 0.245 0.000 2.667 461 V HA -0.167 3.958 4.120 0.008 0.000 0.252 461 V C 2.313 178.510 176.094 0.172 0.000 1.065 461 V CA 0.950 63.366 62.300 0.194 0.000 1.083 461 V CB -2.156 29.710 31.823 0.071 0.000 0.692 461 V HN -0.123 nan 8.190 nan 0.000 0.468 462 F N 2.090 122.032 119.950 -0.012 0.000 2.091 462 F HA -0.229 4.302 4.527 0.008 0.000 0.299 462 F C 2.567 178.487 175.800 0.199 0.000 1.103 462 F CA 2.509 60.519 58.000 0.018 0.000 1.228 462 F CB -0.315 38.557 39.000 -0.213 0.000 0.984 462 F HN 0.282 nan 8.300 nan 0.000 0.477 463 H N -1.152 118.231 119.070 0.522 0.000 2.547 463 H HA 0.063 4.624 4.556 0.008 0.000 0.266 463 H C 0.412 175.976 175.328 0.395 0.000 0.988 463 H CA 0.420 56.726 56.048 0.430 0.000 1.147 463 H CB -0.277 29.732 29.762 0.411 0.000 1.365 463 H HN 0.265 nan 8.280 nan 0.000 0.589 464 Q N 2.062 122.132 119.800 0.449 0.000 2.331 464 Q HA 0.147 4.492 4.340 0.008 0.000 0.257 464 Q C -0.565 175.667 176.000 0.386 0.000 0.957 464 Q CA -0.377 55.648 55.803 0.371 0.000 0.923 464 Q CB 0.701 29.629 28.738 0.317 0.000 1.212 464 Q HN 0.220 nan 8.270 nan 0.000 0.443 465 E N 3.241 123.616 120.200 0.292 0.000 2.418 465 E HA 0.212 4.567 4.350 0.008 0.000 0.261 465 E C -0.490 176.249 176.600 0.230 0.000 1.070 465 E CA 0.472 56.998 56.400 0.210 0.000 0.931 465 E CB 0.700 30.498 29.700 0.163 0.000 0.954 465 E HN 0.607 nan 8.360 nan 0.000 0.439 466 M N 1.252 120.985 119.600 0.222 0.000 2.484 466 M HA 0.353 4.838 4.480 0.008 0.000 0.289 466 M C -1.371 175.045 176.300 0.192 0.000 1.206 466 M CA -0.918 54.526 55.300 0.240 0.000 0.892 466 M CB 2.383 35.184 32.600 0.336 0.000 1.712 466 M HN 0.152 nan 8.290 nan 0.000 0.462 467 V N 1.553 121.593 119.914 0.210 0.000 2.459 467 V HA 0.469 4.594 4.120 0.008 0.000 0.295 467 V C -0.653 175.588 176.094 0.245 0.000 1.029 467 V CA -0.711 61.741 62.300 0.254 0.000 0.874 467 V CB 1.781 33.807 31.823 0.339 0.000 0.985 467 V HN 0.896 nan 8.190 nan 0.000 0.438 468 N N 3.156 121.991 118.700 0.224 0.000 2.372 468 N HA 0.677 5.422 4.740 0.008 0.000 0.285 468 N C -1.778 173.851 175.510 0.197 0.000 1.008 468 N CA -0.396 52.705 53.050 0.084 0.000 0.880 468 N CB 1.825 40.351 38.487 0.064 0.000 1.239 468 N HN 0.742 nan 8.380 nan 0.000 0.484 469 Y N 1.004 121.327 120.300 0.039 0.000 2.656 469 Y HA 0.515 5.070 4.550 0.008 0.000 0.334 469 Y C -1.333 174.578 175.900 0.019 0.000 1.179 469 Y CA -1.140 56.978 58.100 0.029 0.000 1.050 469 Y CB 0.739 39.221 38.460 0.036 0.000 1.308 469 Y HN 0.185 nan 8.280 nan 0.000 0.456 470 I N 3.538 124.204 120.570 0.161 0.000 2.307 470 I HA 0.359 4.534 4.170 0.008 0.000 0.289 470 I C -0.747 175.441 176.117 0.118 0.000 1.021 470 I CA -0.351 60.990 61.300 0.070 0.000 1.224 470 I CB 0.760 38.793 38.000 0.054 0.000 1.376 470 I HN 0.422 nan 8.210 nan 0.000 0.470 471 L N 5.044 126.307 121.223 0.066 0.000 2.344 471 L HA 0.518 4.863 4.340 0.008 0.000 0.272 471 L C 0.233 177.112 176.870 0.015 0.000 1.035 471 L CA -0.437 54.445 54.840 0.071 0.000 0.807 471 L CB 1.793 43.891 42.059 0.065 0.000 1.237 471 L HN 0.478 nan 8.230 nan 0.000 0.442 472 S N 1.417 117.135 115.700 0.030 0.000 2.501 472 S HA 0.600 5.075 4.470 0.008 0.000 0.301 472 S C -2.499 172.121 174.600 0.032 0.000 1.096 472 S CA -1.510 56.695 58.200 0.008 0.000 1.063 472 S CB 1.570 64.790 63.200 0.034 0.000 1.042 472 S HN 0.236 nan 8.310 nan 0.000 0.494 473 P HA 0.336 nan 4.420 nan 0.000 0.268 473 P C -1.450 175.729 177.300 -0.202 0.000 1.208 473 P CA -0.066 62.943 63.100 -0.150 0.000 0.777 473 P CB 0.492 32.046 31.700 -0.242 0.000 0.875 474 A N 1.963 124.636 122.820 -0.245 0.000 2.515 474 A HA 0.667 4.992 4.320 0.008 0.000 0.298 474 A C -1.268 176.124 177.584 -0.320 0.000 1.059 474 A CA -0.520 51.383 52.037 -0.224 0.000 0.698 474 A CB 0.722 19.674 19.000 -0.080 0.000 1.289 474 A HN 0.283 nan 8.150 nan 0.000 0.404 475 F N 1.303 121.224 119.950 -0.049 0.000 2.427 475 F HA 0.578 5.109 4.527 0.007 0.000 0.352 475 F C 1.147 176.955 175.800 0.013 0.000 1.100 475 F CA 0.437 58.429 58.000 -0.014 0.000 1.191 475 F CB 1.133 40.102 39.000 -0.052 0.000 1.128 475 F HN 0.491 nan 8.300 nan 0.000 0.533 476 R N 1.889 122.517 120.500 0.214 0.000 2.750 476 R HA 0.304 4.649 4.340 0.008 0.000 0.281 476 R C -1.343 175.059 176.300 0.169 0.000 0.972 476 R CA -1.213 54.975 56.100 0.147 0.000 0.912 476 R CB 2.008 32.359 30.300 0.084 0.000 1.187 476 R HN 0.616 nan 8.270 nan 0.000 0.464 477 Y N 2.620 122.942 120.300 0.037 0.000 2.397 477 Y HA 0.026 4.581 4.550 0.008 0.000 0.335 477 Y C -0.272 175.629 175.900 0.003 0.000 1.213 477 Y CA 0.362 58.474 58.100 0.021 0.000 1.391 477 Y CB 0.799 39.258 38.460 -0.001 0.000 1.293 477 Y HN 0.492 nan 8.280 nan 0.000 0.557 478 Q N 6.566 125.952 119.800 -0.690 0.000 2.397 478 Q HA 0.558 4.903 4.340 0.008 0.000 0.275 478 Q C -3.041 172.481 176.000 -0.797 0.000 1.090 478 Q CA -2.562 52.935 55.803 -0.509 0.000 0.809 478 Q CB 2.278 30.860 28.738 -0.260 0.000 1.362 478 Q HN 0.400 nan 8.270 nan 0.000 0.431 479 P HA -0.017 nan 4.420 nan 0.000 0.265 479 P C -0.652 176.337 177.300 -0.518 0.000 1.193 479 P CA 0.074 62.939 63.100 -0.391 0.000 0.765 479 P CB 0.422 31.982 31.700 -0.234 0.000 0.823 480 D N 5.036 125.048 120.400 -0.647 0.000 2.629 480 D HA -0.076 4.569 4.640 0.008 0.000 0.228 480 D C -0.943 174.765 176.300 -0.986 0.000 1.127 480 D CA -0.316 53.067 54.000 -1.028 0.000 0.855 480 D CB 0.087 39.876 40.800 -1.685 0.000 1.180 480 D HN 0.351 nan 8.370 nan 0.000 0.484 481 P HA -0.001 nan 4.420 nan 0.000 0.242 481 P C 0.007 176.955 177.300 -0.587 0.000 1.197 481 P CA 0.387 63.084 63.100 -0.673 0.000 0.765 481 P CB 0.004 31.256 31.700 -0.747 0.000 0.936 482 W N 0.000 120.927 121.300 -0.622 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.096 57.345 -0.415 0.000 1.226 482 W CB 0.000 29.200 29.460 -0.434 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535